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Degenerative lumbar disc disease is a condition in which an intervertebral disk and surrounding spinal components are weakened. This might be due to age or a pathogenic cause. Individuals may complain of low back pain. Objective: To determine the pattern of lumbar spine and disc degenerative diseases amongst patients having or not having Low Back Pain with or without radiculopathy diagnosed on Magnetic Resonance Imaging. Methods: Data was collected following inclusion criteria using convenient sampling technique. A total of 266 Patients undergone Lumber MRI scans on MRI Machine 1.5T Phillips. Data was collected from Radiology Department of Tertiary Care Hospital in Lahore, Pakistan. Data was entered and analyzed on SPSS version 20. Age Groups, Gender frequencies were mentioned. Cross Tabulation of Lumber Disc Degenerative Diseases with age and Gender was done and Chi square was applied. P-value ≤0.05 was considered significant. Results: The most prevalent age group for disc degeneration was 40-59 having 56.8 %. Females with disc degeneration have the highest frequency of 143 (53.8%) while males were 123 (48.2%). Lumber Disc degeneration was 101 (38%), Disc Herniation 54 (20.3%), and last with lowest presence of Spinal Canal Stenosis 18 (6.8%). Patients with Radiculopathy with Low back Pain was 61 (22.93%) and only LBP was the most common between the patients having 205 (77.1%). Cross Tabulation of Age Groups with Lumber Disc Pathologies was Significant having P value 0.05. Conclusion: In conclusion MRI can detect Disc Degeneration, Disc Herniation & Buldges, and Spinal Canal Stenosis & Nerve Root Compression. It can be considered significant and accurate to avoid any other interventional procedures. It is also concluded the LBP is an important factor in Disc Degenerative changes & radiculopathy is less seen.

Background: The hypertensive disorders affect pregnant women and can create complications for the women in last trimester of pregnancy. To assess the impact of high hypertension, doppler scan is recommended in the third trimester. Objective: Present explores values of PSV, EDV, S/D ratio, RI and PI among normotensive and hypertensive pregnant women during third trimester of pregnancy in Islamabad, Pakistan. Material and Methods: A Cross-sectional study was conducted at PIMS hospital Islamabad with objectives to evaluate doppler indices in fetal umbilical artery among hypertensive pregnant women in the third trimester of pregnancy. Data were collected from 1st February 2022 to 15th May 2022. A total of 93 pregnant women were recruited from already registered at maternal child health care center of PIMS and recommended for doppler indices scan. Toshiba Aplio 300 Ultrasound System was used for the assessment. Data about S/D ratio, RI and PI was analyzed by using IBM SPSS® software platform. Results: Mean Age of pregnant women in our study conducted was 26.722 ± 4.133. Also the mean gestational week for pregnant women was 32.163 ± 2.35. Doppler indices were significantly raised in hypertensive women as compared to normotensive women. Doppler indices i.e. Pulsatility Index (Mean 1.049 ± 0.312 vs 1.360 ± 0.421), Resistivity Index (Mean 0.631 ± 0.114 vs 0.743 ± 0.01), Systolic/Diastolic flow (Mean 2.672 ± 0.512 vs 3.818 ± 0.986) were increased in third trimester of hypertensive women as compared to normotensive patients. Conclusion: In this study, among doppler indices pulsatility index and resistivity index were identified as significant after applying null hypothesis test. Doppler ultrasound should be used to identify vascular resistance and evaluating degree of fetoplacental blood flow in hypertensive pregnant women.

The reaction of sulfonyl ketones (1-3) with thiosemicarbazide under reflux conditions yielded the sulfonyl thiosemicarbazones (4-6) in good to potential amounts (72-80%). The structure of new compounds (4-6) was confirmed by different spectral (IR, 1H NMR, 13C NMR, MS) and analytical techniques. The investigation of antibacterial screening data revealed that all the tested compounds (4-6) exhibited moderate to decent antibacterial activity against S. pyogenes, S. aureus and E. coli strains. The compounds 4-6 depicted zones of inhibition, i.e., 20.3 mm, 21.2 mm and 19.6 mm against S. pyogenes strain, respectively.

Benzothiazine is a heterocyclic compound consisting of a benzene ring attached to the 6- membered thiazine ring. The benzothiazines constitute the group of heterocyclic compounds as they have found a variety of industrial uses and show promise as herbicides. Besides this, benzothiazines play an important role in the field of drug discovery as they have the potential to act as drug candidates for the treatment of a large number of diseases including, cancer, vasorelaxant, diabetic, hypertension, mycotic infection and microbial infection. The presence of nitrogen-sulphur axis and similarity in the structure with phenothiazine drugs help the benzothiazines to act as drugs for the treatment of a number of diseases. Herein, we represent different synthetic strategies for the simple and multi-component synthesis of benzothiazine heterocyclic derivatives. The strategies mostly involve the use of 2-aminothiophenol, 1, 3-dicarbonyl compounds or α-haloketones. In almost all the strategies, the potential yields have been obtained.

Aim: Screw-held reclamations supported in some clinical circumstances, for example, restricted between occlusal spaces. This study was intended to think about burdens created in the peri-embed bone in two distinct sorts of screw-held rebuilding efforts (portioned versus non-fragmented projection) utilizing a limited component model. Methods: An embed, 6.3 mm in width and 14 mm long, was set in the main molar site of a mandibular model with 1 mm of cortical bone on the buccal and lingual sides. Our current research conducted at Sir Ganga Ram Hospital, Lahore from March 2019 to February 2020. Fragmented and non-sectioned screw projections with their crowns were set on the mimicked embed in each model. Subsequent to stacking (100 N, pivotal and 45° non-hub), von Mises stress was recorded utilizing ANSYS programming, variant 13.0.1. Results. The greatest concerns with the fragmented projection screw were not exactly those of the fragmented projection (89 vs. 100, and 379 vs. 435 MPa under the pivot and non-pivot stacking, individually). The greatest loads in the peri-nesting bone for the fragmented projection model were not exactly those of the undivided (22 vs. 24 MPa, and 33 vs. 126 MPa under vertical and precise vertical stacking, individually). Similarly, the miniature stress of the peri-embedded bone for the recovery of the fragmented projection was not as great as that of the fragmented projection. Conclusion: Under pivotal and non-hub loadings, non-portioned projection demonstrated less pressure fixation in the screw, while there was less anxiety in the peri-embed bone in the fragmented projection. Keywords: Peri-Implant Bone, Screw-Retained, Finite Element Model.

Aim: Protein preload improves postprandial glycaemia by animating discharge of insulin and incretion hormones. Notwithstanding, it requires a huge portion of protein to produce a critical impact. The current examination was completed to explore the postprandial glucose-bringing down impact of a primal protein-enhanced, dietary fiber-strengthened bar (PFB), which contains moderate measures of protein, in people with type 2 diabetes mellitus or on the other hand ordinary glucose resilience (NGT). Materials and Methods: The members (15 sort 2 diabetes mellitus and 15 NGT) were haphazardly appointed to either a premeal or Postmeal PFB gathering and went through two blended feast resistance tests, multi week separated backward request. Our current research was conducted at Jinnah Hospital, Lahore from June 2019 to May 2020. Plasma levels of glucose, insulin, glucagon-like peptide-1 and glucose-subordinate insulinotropic polypeptide were estimated. Results: In mixed-feeding resistance testing, the gradual range below the 0 to 190 min elbow of plasma glucose levels was lower with premeal PFB than with Postmeal PFB in type 2 diabetes mellitus (15,724 - 1,320 mg min/dL vs. 19,643 - 1,368 mg min/dL; P = 0.0003) and NGT members (3,944 - 416 mg min/dL vs. 4,828 - 522 mg min/dL; P = 0.0297). In the type 2 DM members, insulinogenous list and stable elbow zone from 0 to 180 min of plasma, all glucagon-like peptide-1 levels were higher with pre-meal PFB than with post-meal PFB, but not in the NGT members. There was no distinction in the levels of tropical polypeptides of postprandial glucose-subordinate insulin between pre-meal and post-meal BFP in either gathering. Conclusion: Acute organization of premeal PFB diminished postprandial glucose trip in both sort 2 diabetes mellitus and NGT members. In the sort 2 diabetes mellitus members, pre-meal PFB increased the beginning stage insulin discharge, perhaps through improving glucagon-like peptide-1 discharge. Keywords: Postprandial, Hypoglycemic Effect, Pre-Meal Bar Enriched, Protein, Dietary Fiber, DM type-2.

88 subordinate subjects of Finnish liquor and 54 inspections of all-inclusive radiation were concentrated. The goal was to understand the possible association between delayed use of liquors and dentistry. It considered the mean number of teeth, caries, endodontic medications, peripheral sores, failure of peripheral bones and periodontal infrasonic pocketing. The subjects reached the indicative liquor purity criteria as laid down in the DSM-IV and ICD-10. The benchmark group contained social drinking volunteers with an AUDIT score μ8. The topics were classified into classes in the form of sex and age for the definitive findings. Apart from work and smoking, the social structures of the topics were close. The consequence is more caries in the liquor set and more protective. Heavy drinkers < 45 years of age appeared to have more endodontic tooth care than controls, but no difference was found in the amount of periapical sores in endodontic tooth. Even bone misfortune and the presence of math were more incessant in alcoholic men than in alcoholic ladies. Our current research was conducted at Mayo Hospital, Lahore from May 2019 to April 2020. In the class of alcoholic non-smokers more bone misfortunes than those of non-alcoholic non-smokers were observed. The drunkards became essentially more periodontal than the non-tobacco monitors of the non-tobacco band. We assume that further caries, further flat bone misery and more complex infrasonic vertical pockets degrade the radiological dental health of people dependent on liquors. Keywords: Finnish Alcoholics, Dental, Teeth.

Aim: To decide if clinical assessments and periapical radiographs give adequate data to survey the reason for mash and periapical illnesses, the status of teeth when reestablished furthermore, their further treatment needs. Different points were to decide if rebuilding efforts ought to be taken out preceding beginning endodontic treatment, and whether the sort and life span of rebuilding efforts were identified with the presence of ailment. Methods: Information was gathered with respect to 249 reestablished teeth from 226 back to back patients alluded for endodontic treatment. Teeth were analyzed when the rebuilding efforts were taken out and the discoveries were thought about. Our current research was conducted at Mayo Hospital, Lahore Pakistan from March 2019 to February 2020. Results: Pre-employable assessment uncovered 48 (18.5 percent) teeth had caries, 59 (25.4 percent) had splits and 97 (37.5 percent) had negligible breakdown. After rebuilding evacuation, the figures were 217 (88.2 percent), 147 (60 percent), and 249 (98.9 percent) separately. Practically all teeth (93 for every penny) had more than one of these components and periapical radiographs were inconsistent markers of their quality. There was just a 57.2 percent possibility (with 96 percent Confidence Interval) of discovering caries, splits or negligible breakdown earlier to rebuilding expulsion. Composite saps were more regularly connected with beginning stage and quick movement of mash ailments. Conclusion: The prior endodontic therapy must be removed in order to remove the key causes which could have triggered mash and periapical infection and to determine the devaluation of the tooth and the potential conditions of care. Keywords: Preserved Pulp, Periapical, Minor Damage, Teeth.

The search for non-invasive or minimally invasive approaches for the treatment of cancer has led to the development of different therapeutic regimes and one such regime is photodynamic therapy (PDT). PDT is a non-thermal treatment based on the synergy of three elements: the administration of a photosensitizer drug; light at a precise wavelength; and the presence of oxygen. When these three components are combined, they lead to the formation of reactive oxygen species (ROS), resulting in a complex cascade of events and subsequent cell death Studies revealed that PDT can prolong survival in patients with inoperable cancers and significantly improve the quality of life. With a number of recent technological improvements, PDT has the potential to become integrated into the mainstream strategy for cancer treatment. In this review, we have addressed the most important biological and physicochemical aspects of PDT, summarized its clinical status and provided an outlook for its potential future development. We also discussed the factors that hamper the exploration of this effective therapy and what should be changed to render it a more effective and more widely available option for patients.

Early diagnosis of Alzheimer’s disease (AD) allows individuals and their health managers to manage healthier medication. We proposed an approach for classification of AD stages, with respect to principal component analysis (PCA)-based algorithm. The PCA has been extensively applied as the most auspicious face-recognition algorithm. For the proposed algorithm, 100 images of 10 children were transformed for feature extraction and covariance matrix was constructed to obtain eigenvalues. The eigenvector provided a useful framework for face recognition. For the classification of AD stages, magnetic resonance imaging (MRI) and functional magnetic resonance imaging (fMRI) data were obtained from Alzheimer’s Disease Neuroimaging Initiative database. Hippocampus is one of the most affected regions by AD. Thus, we selected clusters of voxels from the “hippocampus” of AD screening stage (mild cognitive impairment), AD stage 1, AD stage 2, and AD stage 3. By using eigenvectors corresponding to maximum eigenvalues of fMRI data, the purposed algorithm classified the voxels of AD stages effectively.

The new steroidal pyrimidine derivatives (4-6) were synthesized by the reaction of steroidal thiosemicarbazones with (2-methyl) diethyl malonate in absolute ethanol. After characterization by spectral and analytical data, the DNA interaction studies of compounds (4-6) were carried out by UV-vis, fluorescence spectroscopy, hydrodynamic measurements, molecular docking and gel electrophoresis. The compounds bind to DNA preferentially through electrostatic and hydrophobic interactions with K-b; 2.31 x 10(3) M-1, 1.93 x 10(3) M-1 and 2.05 x 10(3) M-1, respectively indicating the higher binding affinity of compound 4 towards DNA. Gel electrophoresis demonstrated that compound 4 showed a strong interaction during the concentration dependent cleavage activity with pBR322 DNA. The molecular docking study suggested the intercalation of steroidal pyrimidine moiety in the minor groove of DNA. During in vitro cytotoxicity, compounds (4-6) revealed potential toxicity against the different human cancer cells (MTT assay). During DAPI staining, the nuclear fragmentations on cells occurred after treatment with compounds 4 and 5. Western blotting analysis clearly indicates that compound 4 causes apoptosis in MCF-7 cancer cells. The results revealed that compound 4 has better prospectus to act as a cancer chemotherapeutic candidate, which warrants further in vivo anticancer investigations. (C) 2017 Published by Elsevier B.V.

Multidrug resistant (MDR) bacterial infections have become a severe threat to the community health due to a progressive rise in antibiotic resistance. Nanoparticle-based photodynamic therapy (PDT) is increasingly been adopted as a potential antimicrobial option, yet the cytotoxicity associated with PDT is quite unspecific. Herein, we show Concanavalin-A (ConA) directed dextran capped gold nanoparticles (GNPDEX-ConA) enhanced the efficacy and selectivity of methylene blue (MB) induced killing of multidrug resistant clinical isolates. Here, we show that our complex MB@GNPDEX-ConA is effective against range of MDR clinical isolates, including Escherichia coli, Klebsiella pneumoniae and Enterobacter cloacae. In our treatment modality negligible dark toxicity suggests photochemically driven process with 97% killing of MDR bacteria. GNPDEX-ConA with monomeric form of MB departs maximum fluorescence decay time (τf: 1.7 ns in HSA) and singlet oxygen (ΔΦ; 0.84) for improved activity in albumin rich infection sites. Further, the complex show least toxicity when tested against HEK293 mammalian cells. The principle component analysis (PCA) and confocal microscopy illustrates cytosolic 1O2 mediated type-II PDT as mechanism of action. Hence, MB@GNPDEX-ConA mediated PDT is potential therapeutic approach against MDR infections and can be tailored to fight other infectious diseases.

Reaction of acetophenone thiosemicarbazones (5–8) and (2-methyl) diethyl malonate in absolute ethanol under reflux conditions furnished the corresponding pyrimidinone analogs (9–12) in good to excellent yields. The resulting pyrimidines were characterised using spectral and analytical data analysis. The resulting products were studied for DNA interaction studies of by various techniques like UV–VIS, fluorescence spectroscopy, viscosity measurements, molecular docking and gel electrophoresis. To look into the various structural and molecular properties of the target compounds, theoretical DFT involving B3LYP/6-31G∗∗ level of theory was employed. Frontier molecular orbital analysis (FMO) was carried out which in turn helped us to determine and evaluate the descriptors like chemical hardness, potential, nucleophilicity and electrophilicity index, etc. Molecular docking and viscosity studies indicated that the synthesized pyrimidinones are minor groove binders of DNA with corresponding intrinsic binding constants of 3.41 × 103 M−1, 2.91 × 103 M−1, 3.24 × 103 M−1 and 3.04 × 103 M−1 for compounds (9–12) respectively indicating higher binding affinity of 9 towards DNA. Gel electrophoresis depicted that all new compounds display a dose dependent cleavage activity with pBR322 DNA and efficient nuclease activity was found at 2 μM. An in vitro MTT cytotoxicity assay revealed that the compounds (9–12) possess potential toxicity against the different human cancer cells. The AO/EB staining showed that compound 9 caused apoptosis as revealed by the notable apoptotic features like nuclear shrinkage, blebbing and chromatin condensation in HepG2 cells. Compound 9 also caused decrease in the level of apoptotic marker Bcl-XL in Western blotting indicating its prompt ability to cause apoptosis.

Bio-active steroidal imidazoles 7–9 were synthesised by reacting steroidal thiosemicarbazones 4–6 with phenacyl bromide. After characterisation by spectral and analytical data, the interaction of compounds 7–9 with DNA were carried out by UV-vis, luminescence spectroscopy and gel electrophoresis. The compounds bind with DNA preferentially through electrostatic and hydrophobic interactions with K b; 3.14 × 104, 6.27 × 104 and 5.17 × 104 M−1, respectively indicating higher binding affinity of compound 8 towards DNA. Gel electrophoresis depicted the concentration dependent cleavage activity of compound 8 with supercoiled pBR322. The docking study revealed the minor groove binding of compounds with DNA and intercalation between the nucleotide base pairs is due to imidazole moiety. In Dimethyl thiazolyl diphenyl tetrazolium bromide assay, compounds 7 and 8 showed promising activity against different human cancer cells especially against A545, HepG2 and MCF7 cells. The uptake of compounds by HepG2, MCF7 and A549 cells was studied by confocal microscopy. The Genotoxic nature of compounds 7 and 8 was studied by the comet assay while as the relative expressions of apoptotic markers of A545 cells after interacting with steroidal imidazoles was studied by western blotting analysis.

A series of organic–inorganic conducting nano polymer-matrix composite cation-exchanger have been synthesized via sol–gel method and characterized through FTIR, XRD, TGA-DTA, SEM, and TEM studies. The structural studies confirm the semi-crystalline nature of the material but the morphology of the exchanger gets changed after incorporation of inorganic moiety. The particle size of the nano-composite was found to be 19.2 nm. The observed band gap for the different samples was found to be in the range of 3.70–4.61 eV which shows that nano-composite material covers semiconducting range but the resistivity of samples is highly dependent on the percentage of inorganic part in the composite. Further the oxidative degradation of the polymer backbone begins after the removal of trapped water successively followed by dopant and low molecular weight oligomers. During the antimicrobial screening, the nano-composite was found to be active against different strains of bacteria and fungi. Gel electrophoresis and molecular docking studies were carried out to check the interaction and mechanism of inhibition of microbial growth, respectively by studying the effect of the nano-composite with DNA-Topoisomerase-1.

Functional magnetic resonance imaging (fMRI) data analysis is developing rapidly in a fast emerging society, because of temporal and spatial resolution and the inoffensive feature of their acquisition in human brains. Spatial resolution governs how “sharp” the image is in appearance, whereas temporal resolution denotes the precision of a measurement with respect to time. The goal of fMRI technique is to identify the activation pattern and functional connectivity in the brain regions. In our study, artificial neural network technique was used for the identification and classification of decision-making voxels of fMRI data based on Brodmann areas 10 and 47 from the prefrontal cortex of human brain. The total number of voxels of Brodmann areas was 159, and we determined that some particular voxels played dominant role for decision-making process while performing a visual task. We also analyzed true positive and false positive classification rates between two decisions in the context of a well-known receiver operating characteristic curve (ROC).

A convenient synthesis of 2′-(2″,4″-dinitrophenyl)-5α-cholestano [5,7- c d ] pyrazolines 4–6 from cholest-5-en-7-one 1 – 3 was performed and structural assignment of the products was confirmed on the basis of IR, 1 H NMR, 13 C NMR, MS and analytical data. The synthesized compounds were screened for in vitro antimicrobial activity against different strains during which compound 6 showed potent antimicrobial behaviour against Corynebacterium xerosis and Staphylococcus epidermidis . The synthesized compounds were also screened for in vitro anticancer activity against human cancer cell lines during which compound 5 exhibited significant anticancer activity.

New steroidal imidazolidinthione derivatives (4–6) were synthesized from steroidal thiosemicarbazones and dichloroethane. The synthesized compounds were characterized using spectral data analysis. Theoretical DFT involving B3LYP/6-31G∗∗ level of theory was employed to gain insights into the molecular structure of the target compounds. MEPS and FMO analysis were carried out. HOMO-LUMO energy gap was determined which helped to evaluate various global descriptors like hardness, chemical potential, electronegativity, nucleophilicity and electrophilicity index, etc. The calculated properties established that the synthesized products are more or less similar in their reactivity behaviour. To explore their biological potential, interaction studies of compounds (4–6) with DNA were carried out using various biophysical techniques. The compounds bind DNA preferentially through electrostatic and hydrophobic interactions with Kb of 3.21 × 103 M−1, 2.79 × 103 M−1 and 2.26 × 103 M−1, respectively indicating the higher binding affinity of compound 4 towards DNA. Gel electrophoresis of compound 4 demonstrated strong interaction during the concentration dependent cleavage activity with pBR322 DNA. It was observed that these steroidal imidazolidinthiones are minor groove binders of DNA which was validated using molecular docking studies. An in vitro cytotoxicity screening using MTT assay revealed that the compounds (4–6) exhibit potential toxicity against different human cancer cells. Highest antiproliferative effect was observed on HeLa cells by compound 4. The results suggested that compounds 4–6 cause apoptotic cell death by cleaving apoptotic protein caspase-3 and suppress anti-apoptotic protein Bcl-2 in HeLa cancer cells.

In the present study, out of the total 100 patients studied, 75 patients (75%) were males and majority of patients were in 50-75 age group and complained of dysphagia. It was found that the most common site of incidence of oral cancer in tobacco and betel quid chewers was buccal mucosa. The aim of this study is to further examine the relationship between p53 expression with different histological grades in oral squamous cell carcinoma (OSSC) patients from north India. It was found that there was no p53 expression in normal tissues while in oral SCC patients with tobacco and betel quid chewing habit, the percentage of positive cases as well as p53 positivity showed an increase with increasing grade of SCC. The expression of p53 was significantly associated with histological grade in oral cancer in tobacco and betel quid chewers. In case of p53 expression, statistically significant difference in p53 positivity was observed only on comparing well differentiated SCC with poorly differentiated SCC. The expression of p53 was not similar in different sites of oral cavity but was more frequently seen in gingivia, floor of mouth, tongue, and buccal mucosa.

In the present study steroidal derivatives, 3β-[5′-mercapto-1′,3′,4′-oxadiazole-2-yl]methoxy cholest-5-ene 2 , 3β-[2′,5′-dimethylpyrrole-1-yl]aminocarbonylmethoxycholest-5-ene 3 and 3 β-[3′,5′-dimethyl pyrazole-1-yl]carbonylmethoxycholest-5-ene 4 have been synthesized from cholest-5-en-3β- O -acetyl hydrazide 1 using CS 2 /KOH, acetonyl acetone and acetyl acetone, respectively as reagents and are characterized by IR, 1 H NMR, 13 C NMR, MS and elemental analysis. Compounds 2 – 4 were also evaluated for anticancer activity against human leukemia cell line (HL-60) by MTT assay and compound 4 displayed the promising behavior by showing better anticancer activity.

The synthesis of polyaniline based nickel molybdate nano composite cation exchanger was described by sol–gel method and was explored to study the electrical, optical and analytical applications. The nano composite material was characterized by Fourier Transform Infrared (spectrometer), X-ray diffraction, particle size analyzer, scanning electron microscopy and tunneling electron microscopy. The XRD of nano composite material confirmed the semi-crystalline nature while as particle size analysis as well as TEM depicted average particle size of 76 nm. The partition coefficient studies of different metal ions in the composite were performed in demineralised water and sodium dodecyl sulfate surfactant, and it was found to be selective for Pb(II), Hg(II) and Th(IV) ions. To implement the use of polyaniline Ni(II) molybdate nano composite as adsorbent, some important binary separations of metal ions were performed. SEM analysis showed that the nano composite has random non-preferential orientation with no visible cracks and appeared to be composed of dense and loose aggregation of small particles. The UV–vis spectrum of the nano composite indicated a band gap of about 3.44 eV showing a weak blue shift compared to 3.37 eV for the bulk. Due to their optical and electrical properties, nano composite is promising candidate for use as selectivity of different cations.

Herein we report synthesis of new steroidal oxadiazinanones from steroidal ketones. After characterization by spectral and analytical data, the interaction studies of compounds (4–6) with DNA were carried out by UV–vis, fluorescence spectroscopy and gel electrophoresis. The compounds bind to DNA preferentially through electrostatic and hydrophobic interactions with Kb; 1.8 × 104 M−1, 2.2 × 104 M−1 and 2.6 × 104 M−1, respectively, indicating the higher binding affinity of compound 6 towards DNA. Gel electrophoresis showed the concentration dependent cleavage activity of compound 6 alone or in presence of Cu (II) causes the nicking of supercoiled pBR322 and it seems to follow the mechanistic pathway involving generation of hydroxyl radicals that are responsible for initiating DNA strand scission. Molecular simulations suggest that compounds binds through minor groove of DNA. MTT assay depicted promising anticancer activity of compound 5 and 6 particularly against HL-60 and MCF-7. The apoptotic degradation of DNA was analyzed by agarose gel electrophoresis and visualized by ethidium bromide staining (comet assay). The results revealed that compound 6 has better prospectus to act as cancer chemotherapeutic candidate which warrants further in vivo anticancer investigations.

A new series of steroidal dihydrocarbothioic acid amido pyrazole analogues were synthesized, and after characterization, evaluation for cytotoxicity, comet assay and western blotting was carried out. The synthesis of these analogues is convenient and involves two steps, i.e. aldol condensation as first step followed by nucleophilic addition of thiosemicarbazide across α, β-unsaturated carbonyl as a later step. Quantitative yields of more than 80 % are obtained in both the steps. After characterization by IR, (1)H NMR, (13)C NMR, MS and analytical data, all the compounds of both series were tested for cytotoxic activity against a panel of different human cancer cell lines by MTT assay, during which compound 3e, 3f, 4e, 4f and 4h are very potent especially against HepG2 and MCF-7 cancer cell lines. Cell cycle analysis depicted the cell death in S-phase while as annexin V-FITC/PI analysis showed that compounds effectively induce apoptosis. Apoptotic degradation of DNA of MCF-7 cells in the presence of different steroidal derivatives was analysed by agarose gel electrophoresis and visualized by ethidium bromide staining (comet assay). In western blotting analysis, the relative expressions of relevant apoptotic markers depicted an apoptosis by steroidal dihydropyrazole in MCF-7 cancer cells.

Pyrroles is the special class of heterocyclic compounds with a broad spectrum of biological activities such as anti-inflammatory, antiproliferative, antihistaminic, anti-HIV, antifungal, antihelmintic and antiviral agents. Pyrrole is a five membered ring structure, with formula C4H4NH. The heterocyclic pyrroles are the ideal building blocks for different biologically efficient molecules including porphyrins and bile pigments. Therefore researchers are synthesizing these heterocycles through multi-stepped or single stepped pathways as target structures for biological studies. In this review, different synthetic protocols/methodologies are shown in which different entry molecules are converted into pyrrole derivatives, which are important from medicinal and pharmaceutical points of view.

In an attempt to find a new class of cytotoxic agents, a series of fused steroidal derivatives containing lactone moiety were prepared via Michael addition reaction of α, β-unsaturated steroidal ketones with ethyl chloroacetate in basic medium. The characterization of novel compounds was accomplished by spectroscopic techniques such as IR, 1H NMR, 13C NMR, Mass spectrometry and elemental analysis. The compounds were screened for in vitro cytotoxicity against some particular human cancer cell lines using the MTT assay during which the compound 4 and 5 depicted potential anticancer behavior after showing IC50=19.41 μmol L−1 and 19.27 μmol L−1 against HeLa and MCF-7 cell line, respectively. The Gel electrophoresis demonstrated that steroidal lactone showed strong interaction during the concentration dependent cleavage activity with pBR322 DNA. The molecular docking study suggested the non-covalent bonding of steroidal lactones in minor groove of DNA. The results revealed that the synthesized compounds have better prospectus to act as cancer chemotherapeutic candidates which warrants further in vivo anticancer investigations.

Molecular docking is a kind of bioinformatic modelling which involves the interaction of two or more molecules to give the stable adduct. Depending upon binding properties of ligand and target, it predicts the three-dimensional structure of any complex. Molecular docking generates different possible adduct structures that are ranked and grouped together using scoring function in the software. Docking simulations predict optimized docked conformer based upon total energy of the system. In spite of all potential approaches, ligand chemistry (tautomerism and ionization), receptor flexibility (single conformation of rigid receptor) and scoring function (differentiate true binding mode) still remained the challenge. Many important aspects of molecular docking in terms of its approaches, types, applications and challenges are briefly discussed in this article.

Tridax procumbens Linn belongs to the family asteraceae. The extracts of Tridax procumbens have been used as indigenous medicine for a variety of ailments. It has been extensively used in Indian traditional medicine for wound healing, as anticoagulant, antifungal and insect repellent, in diarrhea and dysentery. Leaf extracts are used to treat infectious skin diseases in folk medicines. It is also dispensed as ‘Bhringraj’ which is well known ayurvedic medicine for liver disorders. Antioxidant, antimicrobial, anti-inflammatory and immune modulatory properties have also been demonstrated. Plants have strong ability to synthesize aromatic substances, most of which are phenols or their oxygen substituted derivatives which are mostly secondary metabolites. At least 12,000 have been isolated, a number estimated to be less than 10% of the total. These substances serve as plant defense mechanisms against predation by microbes, insects, herbivores. Some terpenoids are plant pigment, some are plant flavoring agents and some are having medicinal properties.

A series of new 5α-cholestano [5,6-b] benzothiazines ( 4 – 6 ) has been synthesized by the reaction of 5α-cholestan-6-one ( 1 – 3 ) with 2-aminothiophenol in the presence of iodine. The structures of newly synthesized compounds have been established on the basis of spectral and analytical data. Compounds ( 1 – 6 ) were screened for in vitro anticancer activity against the human cancer cell lines; SW480 (colon adenocarcinoma cells), A549 (lung carcinoma cells), HepG2 (hepatic carcinoma cells) and HeLa (cervical cancer cells) using MTT assay during which the products ( 4 – 6 ) showed marked increase in anticancer activity and in particular, compound 6 showed IC 50 = 13.73 μmol L −1 against HeLa cells, being more effective than Doxorubicin against the same cells. Compounds 4 and 6 also showed minimum IC 50 of 15.83 μmol L −1 and 16.89 μmol L −1 against HepG2 and A549 cells, respectively. Compounds ( 1 – 6 ) were also tested for in vitro antimicrobial activity against different bacterial as well as fungal strains during which newly synthesized compounds ( 4 – 6 ) were found more potent than starting compounds ( 1 – 3 ). Compound 4 was found to be more potent than the reference drug, Chloramphenicol, in the case of Escherichia coli while compound 5 was found almost equally potential antifungal agent against P. marneffei in comparison with the reference drug, Nystatin.

A new series of steroidal pyrimidines (7–9) has been synthesized by reacting steroidal thiosemicarbazones (4–6) with ethyl cyanoacetate. The compounds were characterized by IR, 1H NMR, 13C NMR, MS and analytical data. The interaction studies of compounds 7–9 with DNA were carried out by UV–vis and luminescence spectroscopy. Compounds (7–9) bind to DNA preferentially through electrostatic and hydrophobic interactions, with Kb values found to be 6.56 × 103 M−1, 1.54 × 104 M−1 and 9.34 × 103 M−1, respectively, indicating the higher binding affinity of compound 8 towards DNA. Gel electrophoresis pattern demonstrated that compound 8 shows strong interaction with DNA and that, during its cleavage activity with pBR322 DNA, it seems to follow the mechanistic pathway involving the generation of singlet oxygen and a superoxide anion, which are responsible for initiating DNA strand scission. The docking study suggested that the intercalation of compounds in between the nucleotide base pairs is due to the presence of a pyrimidine moiety in the steroid molecule. MTT assay was carried out to check the toxicity of new compounds 7–9 against the different human cancer as well as non-cancer cell lines A545, MCF-7, HeLa, HL-60, SW480, HepG2, HT-29, A549, 184B5, MCF10A, NL-20, HPC, and HPLF. Apoptotic degradation of DNA in the presence of steroidal pyrimidines 7–9 was analysed by agarose gel electrophoresis and visualized by ethidium bromide staining (comet assay).

A convenient synthesis of a new series of nano steroidal pyrazolones is reported. They were characterized by X-ray diffraction, scanning electron microscopy, UV–vis light, Fourier transform-infrared spectroscopy, 1 H and 13 C nuclear magnetic resonance, mass spectroscopy and analytical data. The X-ray diffraction patterns at room temperature showed that two nano steroids, 7 and 8 , are formed in single phase with hexagonal crystal symmetry, while nano steroid 9 is formed with orthorhombic crystal symmetry. Compounds 1 – 3 are formed with hexagonal, monoclinic and tetragonal crystal symmetry, respectively. Scanning electron microscopy showed that the crystals of nano steroids 7 – 9 are brick-shaped agglomerates with less sharp edges and a rough surface with a few microcrystals, while the homogeneous crystal of nano steroid 3 has an approximate spherical morphology of nano particles conjoined to the chains. UV–vis absorption analysis showed that the band gap energy of nano steroids 7 and 8 was 3.70 eV and 4.61 eV, while that of 2 and 3 was 4.38 eV and 4.27 eV, respectively. Nano steroids 2 , 3 and 7 – 9 were screened for antimicrobial activity against various strains; nano compound 7 showed potential antimicrobial activity.

A series of new steroid pyrimidines ( 7 – 9 ) were synthesized by reacting steroidal thiosemicarbazones ( 4 – 6 ) with diethyl malonate. The new compounds were characterized by IR, 1 H NMR, 13 C NMR, MS and analytical data. The interaction studies of compounds ( 7 – 9 ) with DNA were carried out by employing gel electrophoresis, UV–vis and fluorescence spectroscopy. The acting force between the compounds ( 7 – 9 ) and DNA was mainly hydrophobic while the other interactions like van der Waals, hydrogen bonding cannot be ruled out. The gel electrophoresis pattern also demonstrated that the compound 7 alone or in presence of Cu (II) causes the nicking of supercoiled pBR322 and it seems to follow the mechanistic pathway involving generation of hydroxyl radicals that are responsible for initiating DNA strand scission. The docking study of compounds ( 7 – 9 ) suggested that the intercalation of compounds in between the nucleotide base pairs might be due to the presence of pyrimidine moiety in steroid molecule. MTT assay was carried out to check the toxicity of new compounds ( 7 – 9 ) against the different human cancer as well as non-cancer cell lines A545, MCF-7, HeLa, HL-60, SW480, HepG2, HT-29, A549, 184B5, MCF10A, NL-20, HPC and HPLF. Apoptotic degradation of DNA in presence of steroidal pyrimidines ( 7 – 9 ) was analyzed by agarose gel electrophoresis and visualized by ethidium bromide staining (comet assay).

A series of new steroidal pyrazolones have been synthesized, characterised and evaluated for their in vitro anticancer activity. They were tested against five cancer (SW480, HepG2, A549, HeLa and HL-60) cell lines. The synthesized compounds showed high selectivity and compound 4 showed the strongest inhibitory activity against human SW480 (IC50 = 11.67 μmol L−1). In addition, the synthesized compounds were tested for their antimicrobial activity by disc diffusion assay and MIC by broth micro dilution method against Gram-positive, Gram-negative strains of bacteria as well as fungus strains and we found a correlation between the observed and predicted antimicrobial activities. Docking studies were performed to investigate the hypothetical binding mode of the target compounds. This study provided a new molecular scaffold for the further development of anticancer as well as antimicrobial agents.

A stable composite cation exchange adsorbent for the treatment of heavy metal ions has been synthesized by sol-gel method and characterized by FTIR, XRD, SEM, TGA and TEM analysis. Ion-exchange capacity, pH titration, elution behavior and distribution studies have been also carried out to determine the primary ion-exchange characteristics of the composite. The material shows exchange capacity of 1.49 meq g-1 (for Na+). The composite material exhibits improved ion-exchange capacity, chemical and thermal stability. It can be used up to 300°C with 87.5% retention of initial ion-exchange capacity. The pH titration data reveals bifunctional behaviour of composite. On the basis of distribution coefficient (Kd), the material has been selective for Cd(II), Ba(II), Hg(II) and Pb(II) ions. A number of important and analytically difficult quantitative separations of metal ions have been achieved using columns packed with this exchanger. The composite cation exchanger has been applied for the treatment of sewage water and synthetic mixture successfully.

Thiazolidinones is the special class of heterocyclic compounds with a broad spectrum of biological activities such as anti-inflammatory, antiproliferative, antihistaminic, anti-HIV, hypnotic, anaesthetic, antifungal, anthelmintic and antiviral agents as well as CNS stimulants. Therefore researchers have synthesized these condensed heterocycles through different complex pathways as target structures for biological studies. This review focuses on the various strategies followed for the convenient synthesis of thiazolidinone based heterocyclic derivatives. The steps included condensation followed by cyclization of Schiff’s bases, either in a step-wise manner or in one pot under different conditions. Mercaptoacetic acid, thiolactic acid, chloroacetyl chloride, potassium thiocyanate, ethylchloro acetate and ammonium thiocyanate are the most common reagents used for the synthesis thiazolidinone appended on different heterocyclic skeletons.

The aim of the present study was to investigate the phytochemistry and bioactive nature of Tridax procumbens. The ethanol, benzene and petroleum ether extracts of dried roots of this plant were investigated for phytochemistry and antibacterial analysis. The antibacterial activity was evaluated against different bacterial strains viz. Escherichia coli, Staphylococcus aureus, Salmonella typhii, Klebsiella pneumoniae and Shigella flaxineri by detecting zone of inhibition. The zone of inhibition was compared with standard discs of Gentamicin. From these extracts, two of them (ethanolic and pet-ether extracts) revealed significant results as compared to benzene extract. The qualitative analysis revealed the presence of flavonoids, pholabatannins, resins, tannins, phenols, lipids and fats and carbohydrates.

Schiff bases are a group of compounds prepared by the condensation of primary amines and active carbonyl compounds. The Schiff bases have a general structure RRʹC=N-Rʹʹ (where R, R’ and Rʹʹ are alkyl, cyclohexyl, hydroxyalky1, hydroxyary1, etc). Herein the different synthetic routes of Schiff Base complexes like, direct synthesis, in situ method, oxidation of coordinated secondary amine, amine exchange approach, metal exchange and ligand exchange reaction are reviewed. A concise survey of literature on the coordination modes of complexes of Schiff base ligands is also presented in this article. The coordination complexes have been successfully screened against different strains of bacteria where they depicted the potential antimicrobial behaviour.

A series of new steroidal imidazolidine derivatives (4-6) were synthesized after reacting steroidal thiosemicarbazones with chloro ethylacetate in absolute ethanol. After characterization by spectral and analytical data, the interaction studies of compounds (4-6) with DNA were carried out by UV-vis, fluorescence spectroscopy, hydrodynamic measurements, molecular docking and gel electrophoresis. The compounds bind to DNA preferentially through electrostatic and hydrophobic interactions with Kb; 2.63 × 10(3) M(-1), 1.81 × 10(3) M(-1) and 2.06 × 10(3) M(-1), respectively indicating the higher binding affinity of compound 4 towards DNA. Gel electrophoresis demonstrated that compound 4 showed strong interaction during the concentration dependent cleavage activity with pBR322 DNA. The molecular docking study suggested the intercalation of imidazolidine moiety of steroid derivative in minor groove of DNA. During in vitro cytotoxicity, compounds (4-6) revealed potential toxicity against the different human cancer cells (MTT assay). The uptake of compound 4 by MCF-7 and HeLa cells was studied by confocal microscopy which determined cell shrinkage and hence leading to the apoptosis. The results revealed that compound 4 has better prospectus to act as cancer chemotherapeutic candidate which warrants further in vivo anticancer investigations.

A one-pot strategy for the catalytic synthesis of series of new 5α-cholestan-6-spiro-5'-phenylamino-2H-imidazo [1',2'-a] pyridines (4-14) has been investigated. The synthesized products were obtained in good yields (85-90%) and the protocol uses Multi-component Reaction (MCR) involving steroidal ketones, 2-aminopyridines, isocyanides and propylphosphonic anhydride (®T3P) as a catalyst. After characterization by spectral and analytical data, the interaction studies of compounds (4-6) with DNA were studied by UV-vis, fluorescence spectroscopy, gel electrophoresis and molecular docking. The compounds bind to DNA preferentially through electrostatic and hydrophobic interactions with Kb; 2.35×10(4), 3.71×10(4) and 3.24×10(4) M(-1), respectively, indicating the higher binding affinity of compound 5 towards DNA. Gel electrophoresis showed the concentration dependent cleavage activity of compounds 4-6 with DNA. Molecular docking studies suggested that compounds bind through minor groove to DNA. The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay depicted promising anti-proliferative activity of compound 4-9 against different given cancer cells. In Western blotting, the expressions of relevant apoptotic markers depicted an apoptosis by steroidal imidazopyridines in A549 cells. Annexin V-FITC/PI staining data indicated that compounds could effectively induce apoptosis in A549 cells in a dose-dependent manner. FACS analysis shows that the compound 6 bring about cell cycle arrest at 2.62 μM concentration.

New steroidal imidazolidinone derivatives (7-9) were synthesized after reacting steroidal thiosemicarbazones with oxalyl chloride in absolute ethanol. After characterization by spectral and analytical data, the interaction studies of compounds (7-9) with DNA were carried out by UV-vis, fluorescence spectroscopy, circular dichroism, molecular docking and gel electrophoresis. The compounds bind to DNA preferentially through electrostatic and hydrophobic interactions with Kb; 2.31 × 10(4) M(-1), 2.57 × 10(4) M(-1) and 2.16 × 10(4) M(-1), respectively indicating the higher binding affinity of compound 8 towards DNA. Gel electrophoresis demonstrated that the compounds 7-9 show strong interaction during the cleavage activity with pBR322 DNA. The docking study suggested the intercalation of imidazolidinone moiety of steroid derivative in minor groove of DNA. During in vitro cytotoxicity, compounds 7-9 revealed potential toxicity against the different human cancer cells (MTT assay). Apoptotic degradation of DNA in presence of compounds 7-9 was analyzed by agarose gel electrophoresis and visualized by ethidium bromide staining (comet assay). FACS analysis shows that the compound 8 bring about cell cycle arrest at 7 μM concentration.

The design and synthesis of medicinal chemotherapeutic agents of copper with 2-(benzothiazol-2-yl iminomethyl)-phenol, 2-(benzothiazol-2-yliminomethyl)-valine, cyanoaceto (2-mer- captobenzylidene)-hydrazide, 2-(phenacyl bromide)-aminothiophenol, (2-mercaptobenzaldehyde) thio- semicarbazone, N-(phenacyl bromide)-2- yliminobenzothiazole, 2-aminobenzothiazole, benzothiazol-2-yliminomethyl)-phenol and 2-[(2E¹-aminobenzylidene)- amino]-benzenethiol were synthesized. The characterization was done by FTIR, 1H and 13C NMR, MS, TGA and elemental analysis. Interaction of complexes 8 and 9 with CT DNA was done by using UV-vis and fluorescence spectroscopy depicting the hyperchromic behaviour of complexes. The intrinsic binding constants (Kb) for complex 8 and 9 were 2.35 × 103 M-1 and 2.12 × 103 M-1. The cleavage studies of complex 8 and 9 were done with pBR322 plasmid showing the potential cleaving ability of the complexes at very low concentration. The gel electrophoresis pattern also demonstrated that the complex 8 alone or in presence of Cu (II) causes the nicking of supercoiled pBR322 and it seems to follow the mechanistic pathway involving generation of hydroxyl radicals that are responsible for initiating DNA strand scission. The molecular docking studies showed the minor groove binding behaviour of the complexes 8 and 9 with DNA. During the MTT assay against different cancer cell lines like SW480, HepG2, HT29 and HL60, all the complexes showed potential cytotoxic behaviour by giving effective IC50 close to Cisplatin. The bioactivity score and PASS analysis also depicted the drug like nature of the complexes. During the comet assay, apoptotic degradation of DNA in the presence of complex 8 and 9 was analysed by agarose gel electrophoresis and visualized by ethidium bromide staining.

New steroidal imidazolidine derivatives (7-9) were synthesized by reacting steroidal thiosemicarbazones (4-6) with ethyl-2-chloroacetate in absolute ethanol. After characterization by spectral and analytical data, the interaction studies of compounds (7-9) with DNA were carried out by UV-vis, luminescence spectroscopy, circular dichroism and gel electrophoresis. The compounds bind to DNA preferentially through electrostatic and hydrophobic interactions with Kb; 2.07 × 104 M-1, 2.1 × 104 M–1 and 1.9 × 104 M–1, respectively indicating the higher binding affinity of compound 8 towards DNA. Gel electrophoresis demonstrated that the compound 8 show strong interaction with DNA and during its cleavage activity with pBR322 DNA, it seems to follow the mechanistic pathway, involving singlet oxygen and superoxide anion to generate ROS responsible for initiating DNA strand scission. The docking study suggested the intercalation of imidazolidine moiety of steroid derivative in minor groove of DNA. In MTT assay, compounds 7-9 revealed potential toxicity against different human cancer cells especially compound 8 against A549 cells. Genotoxicity of compounds (7-9) was checked by comet assay. In western blotting, the expressions of relevant apoptotic markers depicted an apoptosis by steroidal imidazolidines in A549 cells.