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Background: Plasmodium vivax apical membrane antigen-1 (pvama-1) is an important vaccine candidate against Malaria. The genetic composition assessment of pvama-1 from wide-range geography is vital to plan the antigen based vaccine designing against Malaria.Methods: The blood samples were collected from 84 P. vivax positive malaria patients from different districts of Khyber Pakhtunkhwa (KP) province of Pakistan. The highly polymorphic and immunogenic domain-I (DI) region of pvama-1 was PCR amplified and DNA sequenced. The QC based sequences raw data filtration was done using DNASTAR package. The downstream population genetic analyses were performed using MEGA4, DnaSP, Arlequin v3.5 and Network.5 resources.Results: The analyses unveiled total 57 haplotypes of pvama-1 (DI) in KP samples with majorly prevalent H-14 and H-5 haplotypes. Pairwise comparative population genetics analyses identified limited to moderate genetic distinctions among the samples collected from different districts of KP, Pakistan. In context of worldwide available data, the KP samples depicted major genetic differentiation against the Korean samples with Fst = 0.40915 (P-value = 0.0001), while least distinction was observed against Indian and Iranian samples. The statistically significant negative values of Fu and Li's D* and F* tests indicate the evidence of population expansion and directional positive selection signature. The slow LD decay across the nucleotide distance in KP isolates indicates low nucleotide diversity. In context of reference pvama-1 sequence, the KP samples were identified to have 09 novel non-synonymous single nucleotide polymorphisms (nsSNPs), including several trimorphic and tetramorphic substitutions. Few of these nsSNPs are mapped within the B-cell predicted epitopic motifs of the pvama-1, and possibly modulate the immune response mechanism.Conclusion: Low genetic differentiation was observed across the pvama-1 DI among the P. vivax isolates acquired from widespread regions of KP province of Pakistan. The information may implicate in future vaccine designing strategies based on antigenic features of pvama-1. [ABSTRACT FROM AUTHOR]

Background: The genetic diversity of malaria parasites contributes to their ability to adapt to environmental changes, develop drug resistance and circumvent the host immune system. This study aimed to analyse the genetic diversity of the Pfmsp1 and Pfmsp2 genes in Plasmodium falciparum and the Pvmsp-3α gene in Plasmodium vivax isolates from District Nowshera in Pakistan. Methods: Blood samples from 124 consenting patients with uncomplicated malaria presenting to different hospitals from the Nowshera district were collected between March and August 2019, representing 28 P. falciparum and 96 P. vivax isolates. The genomic DNA extracted from the isolates were subjected to nested PCR and allele-specific analysis. Pvmsp-3α amplified fragments were further treated with restriction fragment length polymorphism (RFLP)-based Hha1 restriction enzyme. Results: Of the analyzed P. falciparum, 21 distinct alleles were detected, including 14 alleles for Pfmsp-1 and 7 alleles for Pfmsp-2. The sub-allelic families MAD20 (50%) of Pfmsp-1and FC27 (75%) of Pfmsp-2 were predominant. The multiplicity of infection (MOI) was calculated as 1.4 and 1.2 for Pfmsp-1 and Pfmsp-2, respectively, with an overall mean MOI of 1.34. In P. vivax, 4 allelic variants, Pvmsp-3α types A, B, C and D, were detected, while RFLP digestion of amplicons, detected 9 sub-allelic variants (A1-A4, B1, B2, C1, C2 and D1) at the Pvmsp-3α locus. Conclusion: This first ever report of molecular characterization of P. falciparum and P. vivax genotypes from District Nowshera, Pakistan reveals moderate to high allelic diversity in parasite population from District Nowshera, Pakistan. [ABSTRACT FROM AUTHOR]

• α-glucosidase is carbohydrate digestive enzyme, present in the brush boarder of small intestine. • B. lycium and F. cretica extracts against α-glucosidase followed by molecular docking. • Phytic acid and sindamine showed remarkable interaction with α-glucosidase active site residues. • Quercetin and Palmatine-CHCl 3 showed comparable docking score with the standard acarbose. • Extracts of B. lycium and F. cretica showed significant α-glucosidase inhibition. α-glucosidase is a primary carbohydrate digestive enzyme, present in the brush border of the small intestine that acts on the 1–4 associated α-glucose residues and could play an effective role in overall glycemic control. Berberis lycium and Fagonia cretica extracts are traditionally being used as antidiabetic. In the present study, ethanolic and methanolic extracts of B. lycium and F. cretica were tested against α-glucosidase. Furthermore, the isolated phytochemicals of these plants were screened computationally for the evaluation of active compounds. An in vitro assay, the Ethanol and methanol-based extracts of B. lycium and F. cretica for α-glucosidase inhibitory potential at a concentration range of 7.81–1000 µg/ml was used. The α-glucosidase inhibitory effect of extracts was compared based on their resulting IC 50 values. The result showed that the extracts showed potent inhibitory activity against alpha-glucosidase. Methanolic extract of B. lycium with an IC 50 value of 34.99 µg/ml was the most potentextract. The rest of the extracts showed moderate inhibitory activity with an IC 50 value in the range of 48.17 µg/ml, to 66.53 µg/ml. The reported compounds were docked against α-glucosidase along with standard inhibitor (acarbose) to check the inhibitory potential of these compounds using computational tools. Among the 38 phytochemicals, phytic acid and sindamine showed remarkable interaction with α-glucosidase active site residues with docking score -20.0204 and -18.2239 respectively, while quercetin and palmatine-CHCl 3 showed comparable docking score -14.7862 and -14.1882 respectively with the standard acarbose having docking score -15.5940 against α-glucosidase. We further validate our results in vitro by using. We concluded from the results that phytochemical extracted from medicinal plants show good potency and however in future in vivo studies are needed to cure diabetes mellitus. [ABSTRACT FROM AUTHOR]

Background: The Plasmodium falciparum apical membrane antigen-1 (PfAMA1) is considered as an ideal vaccine candidate for malaria control due to its high level of immunogenicity and essential role in parasite survival. Among the three domains of PfAMA1 protein, hyper-variable region (HVR) of domain I is the most immunogenic. The present study was conducted to evaluate the extent of genetic diversity across HVR domain I of the pfama1 gene in P. falciparum isolates from Hazara division of Pakistan. Methods: The HVR domain I of the pfama1 was amplified and sequenced from 20 P. falciparum positive cases from Hazara division of Pakistan. The sequences were analysed in context of global population data of P. falciparum from nine malaria endemic countries. The DNA sequence reads quality assessment, reads assembling, sequences alignment/phylogenetic and population genetic analyses were performed using Staden, Lasergene v. 7.1, MEGA7 and DnaSP v.5 software packages respectively. Results: Total 14 mutations were found in Pakistani isolates with 12 parsimony informative sites. During comparison with global isolates, a novel non-synonymous mutation (Y240F) was found specifically in a single Pakistani sample with 5% frequency. The less number of mutations, haplotypes, recombination and low pairwise nucleotide differences revealed tightly linked uniform genetic structure with low genetic diversity at HVR domain I of pfama1 among P. falciparum isolates from Hazara region of Pakistan. This uniform genetic structure may be shaped across Pakistani P. falciparum isolates by bottleneck or natural selection events. Conclusion: The Pakistani P. falciparum isolates were found to maintain a distinct genetic pattern at HVR pfama1 with some extent of genetic relationship with geographically close Myanmar and Indian samples. However, the exact pattern of gene flow and demographic events may infer from whole genome sequence data with large sample size of P. falciparum collected from broad area of Pakistan. [ABSTRACT FROM AUTHOR]

Abstract The Burkholderia pseudomallei is a unique bio-threat and causative agent of melioidosis. The B. pseudomallei Bp1651 strain has been isolated from a chronic cystic fibrosis patient. The genome-level DNA sequences information of this strain has recently been published. Unfortunately, there is no commercial vaccine available till date to combat B. pseudomallei infection. The genome-wide prioritization approaches are widely used for the identification of potential therapeutic candidates against pathogens. In the present study, we utilized the recently available annotated genomic information of B. pseudomallei Bp1651 through subtractive genomics and reverse-vaccinology strategies to identify its potential vaccine targets. The analyses identified more than 60 pathogen-specific, human host non-homologous proteins that may prioritize in future studies to investigate therapeutic targets for B. pseudomallei Bp1651. The potential B and T-cells antigenic determinant peptides from these pathogen-specific proteins were cataloged using antigenicity and epitope prediction tools. The analyses unveiled a promising antigenic peptide "FQWEFSLSV" from protein-export membrane protein (SecF) of Bp1651 strain, which was predicted to interact with multiple class I and class II MHC alleles with IC 50 value < 100 nM. The molecular docking analysis verified favorable molecular interaction of this lead antigenic peptide with the ligand-binding pocket residues of HLA A*02:06 human host immune cell surface receptor. This peptide is predicted to be a suitable epitope capable to elicit the cell-mediated immune response against the B. pseudomallei pathogen. The putative epitopes and proteins identified in this study may be promising vaccine targets against Bp1651 as well as other pathogenic strains of B. pseudomallei. Highlights • Burkholderia pseudomallei is a causative agent of melioidosis. • A well annotated genome-level DNA sequences information of B. pseudomallei Bp1651 clinical strain has recently published. • We attempted subtractive genomics and reverse-vaccinology strategies to identify the potential vaccine targets against B. pseudomallei Bp1651. • More than 60 pathogen-specific, human host non-homologous proteins were prioritized as potential vaccine targets. • A peptide "FQWEFSLSV" from pathogen SecF protein was identified as top antigenic determinant predicted to elicit the cell-mediated immune response against the Bp1651. [ABSTRACT FROM AUTHOR]

(1) Background: Liver fibrosis is currently one of the top ten causes of death worldwide. Stem cells transplantation using mesenchymal stem cells (MSCs) is an alternative therapy which is used in the place of organ transplant, due to the incapacity of stem cells to endure oxidative stress in the damage site, thus affecting the healing process. The present study aimed to enhance the therapeutic potential of MSCs using combined therapy, along with the novel synthetic compounds of benzimidazol derivatives. (2) Methods: Eighteen compound series (benzimidazol derivatives) were screened against liver fibrosis using an in vitro CCl4-induced injury model on cultured hepatocytes. IC50 values were calculated on the bases of LDH assay and cell viability assay. (3) Results: Among the eighteen compounds, compounds (10), (14) and (18) were selected on the basis of IC50 value, and compound (10) was the most potent and had the lowest IC50 value in the LDH assay (8.399   ±   0.23 uM) and cell viability assay (4.73   ±   0.37 uM). Next, these compounds were combined with MSCs using an in vitro hepatocytes injury culture and in vivo rat fibrotic model. The effect of the MSCs + compounds treatment on injured hepatocytes was evaluated using LDH assay, cell viability assay, GSH assay and real-time PCR analysis and immuno-staining for caspase-3. Significant reductions in LDH level, caspase-3 and apoptotic marker genes were noted in MSCs + compounds-treated injured hepatocytes. In vivo data also showed the increased homing of the MSCs, along with compounds after transplantation. Real-time PCR analysis and TUNEL assay results also support our study. (4) Conclusions: It was concluded that compounds (10), (14) and (18) can be used in combination with MSCs to reduce liver fibrosis. [ABSTRACT FROM AUTHOR]

Single-Nucleotide Polymorphisms (SNPs) are common genetic variations implicated in human diseases. The non-synonymous SNPs (nsSNPs) affect the proteins' structures and their molecular interactions with other interacting proteins during the accomplishment of biochemical processes. This ultimately causes proteins functional perturbation and disease phenotypes. The Insulin receptor substrate-2 (IRS-2) protein promotes glucose absorption and participates in the biological regulation of glucose metabolism and energy production. Several IRS-2 SNPs are reported in association with type 2 diabetes and obesity in human populations. However, there are no comprehensive reports about the protein structural consequences of these nsSNPs. Keeping in view the pathophysiological consequences of the IRS-2 nsSNPs, we designed the current study to understand their possible structural impact on coding protein. The prioritized list of the deleterious IRS-2 nsSNPs was acquired from multiple bioinformatics resources, including VEP (SIFT, PolyPhen, and Condel), PROVEAN, SNPs&GO, PMut, and SNAP2. The protein structure stability assessment of these nsSNPs was performed by MuPro and I-Mutant-3.0 servers via structural modeling approaches. The atomic-level structural and molecular dynamics (MD) impact of these nsSNPs were examined using GROMACS 2019.2 software package. The analyses initially predicted 8 high-risk nsSNPs located in the highly conserved regions of IRS-2. The MD simulation analysis eventually prioritized the N232Y, R218C, and R104H nsSNPs that predicted to significantly compromise the structure stability and may affect the biological function of IRS-2. These nsSNPs are predicted as high-risk candidates for diabetes and obesity. The validation of protein structural impact of these shortlisted nsSNPs may provide biochemical insight into the IRS-2-mediated type-2 diabetes. [ABSTRACT FROM AUTHOR]

• Substantial genetic polymorphisms have identified in Pakistan PvDBPII. • Natural selection and recombination events were contributors generating genetic diversity of Pakistan PvDBPII. • Genetic heterogeneity was found across the global PvDBPII population. • Understanding of the genetic nature of PvDBPII is critical for the development of an effective universal vaccine against vivax malaria. Plasmodium vivax Duffy binding protein (PvDBP) is crucial for erythrocyte invasion, interacting with the Duffy Antigen Receptor for Chemokines (DARC) on the erythrocyte surface. The amino-terminal cysteine-rich region II of PvDBP (PvDBPII) is a promising blood stage vaccine candidate, yet the genetic polymorphisms of this protein in global P. vivax isolates complicate the design of effective vaccines against vivax malaria. This study analyzed the genetic polymorphism of PvDBPII in Pakistan P. vivax isolates. A total of 29 single nucleotide polymorphisms (SNPs), including 22 nonsynonymous SNPs, were identified in 118 Pakistan PvDBPII. Most amino acid substitutions occurred in subdomains II and III, with six commonly observed in the global PvDBPII population. The amino acid change patterns in Pakistan PvDBPII generally mirrored those in global PvDBPII , although the frequencies of amino acid changes varied by country. Nucleotide diversity in Pakistan PvDBPII was comparable to that found in global PvDBPII. Evidence of natural selection and recombination in Pakistan PvDBPII aligned with observations in global PvDBPII. Analysis of the haplotype network of global PvDBPII revealed a complexed network of 167 haplotypes, but no geographical clustering was observed. The findings are crucial for understanding the genetic characteristics of Pakistan PvDBPII. A comprehensive analysis of nucleotide diversity and evolutionary trends in the global PvDBPII population offers valuable insights for the development of vivax malaria vaccines based on this antigen. [Display omitted] [ABSTRACT FROM AUTHOR]

Introduction: The genomic miscellany of malaria parasites can help inform the intensity of malaria transmission and identify potential deficiencies in malaria control programs. This study was aimed at investigating the genomic miscellany, allele frequencies, and MOI of P. falciparum infection. Methods: A total of 85 P. falciparum confirmed isolates out of 100 were included in this study that were collected from P. falciparum patients aged 4 months to 60 years in nine districts of Khyber Pakhtunkhwa Province. Parasite DNA was extracted from 200µL whole blood samples using the Qiagen DNA extraction kit following the manufacturer's instructions. The polymorphic regions of msp-1, msp-2 and glurp loci were genotyped using nested PCR followed by gel electrophoresis for amplified fragments identification and subsequent data analysis. Results: Out of 85 P. falciparum infections detected, 30 were msp-1 and 32 were msp-2 alleles specific. Successful amplification occurred in 88.23% (75/85) isolates for msp-1, 78.9% (67/85) for msp-2 and 70% (60/85) for glurp gene. In msp-1, the K1 allelic family was predominantly prevalent as 66.66% (50/75), followed by RO33 and MAD20. The frequency of samples with single infection having only K1, MAD20 and RO33 were 21.34% (16/75), 8% (6/75), and 10.67% (8/75), respectively. In msp-2, both the FC27 and 3D7 allelic families revealed almost the same frequencies as 70.14% (47/67) and 67.16% (45/67), respectively. Nine glurp RII region alleles were identified in 60 isolates. The overall mean multiplicity of infection for msp genes was 1.6 with 1.8 for msp-1 and 1.4 for msp-2, while for glurp the MOI was 1.03. There was no significant association between multiplicity of infection and age groups (Spearman's rank coefficient = 0.050; P = 0.6) while MOI and parasite density correlated for only msp-2 allelic marker. Conclusions: The study showed high genetic diversity and allelic frequency with multiple clones of msp-1, msp-2 and glurp in P. falciparum isolates in Khyber Pakhtunkhwa, Pakistan. In the present study the genotype data may provide valuable information essential for monitoring the impact of malaria eradication efforts in this region. [ABSTRACT FROM AUTHOR]

The hyperglycemic condition due to diabetes could be managed through retardation of the carbohydrate metabolism by inhibiting the enzymes involved in its degradation. Currently available therapeutic drugs for diabetes as inhibitors of α-glucosidase have limitations on safety, efficacy, and potency. Terpenes have been traditionally used for the treatment of different ailments in humans. Pharmacological activities related to different types of terpenes include antiviral, anticancer, antidepressant, anti-inflammatory, and antidiabetic among others. This study is aimed to unravel the novel antidiabetic plant-derived terpenes as α-glucosidase inhibitors and to investigate the molecular mechanisms underlying this activity. To determine the binding affinity of the plant-derived terpenes with the α-glucosidase target enzyme, an in-house library of 86 terpenes was created after a thorough search of the literature. The terpenes were virtually screened against the receptor protein by performing molecular docking via MOE software package. The binding affinity of the selected compounds was confirmed through molecular dynamic simulation studies. Further, pharmacophore studies, drug-likeness, and ADMET analysis of the top scoring terpenes were also performed. The docking score, drug-likeness assessment, pharmacokinetics analysis, and pharmacophore studies revealed that three compounds namely Gypsogenin -O-α-D-galactopyranosyl-(1-6)-β-D-glucopyranosyl-(1-6)-[β-D-glucopyranosyl-(1-3)]-β-D-glucopyranosyl ester, Segetalic acid and 22-α hydroxychiisanoside are effective inhibitors of α-glucosidase enzyme compared to the standard inhibitors. These findings showed that plant derived terpenes are potential α-glucosidase inhibitors and need to be explored through modern techniques for the development of effective plant-based antidiabetic drugs. [Display omitted] • The hyperglycemic condition could be controlled through the inhibition of enzymes involved in carbohydrates catabolism. • Plant-derived terpenes harbor several therapeutic activities including antidiabetic. • Some terpenes are stronger inhibitors of alpha-glucosidase than the standard compounds. [ABSTRACT FROM AUTHOR]

Plant species represent the hierarchical expression of vegetation as it is affected by various environmental gradients. We explored the plant species composition, distribution pattern, communities formation and their respective indicators under the influence of various environmental factors in the Dhirkot region, Azad Jammu and Kashmir. It was hypothesized that different environmental factors were responsible for the formation of various plant communities each with a distinct indicator. Quantitative ecological techniques were used for the sampling of vegetation. A total of 114 quadrats were established in 13 selected sampling sites. Phytosociological attributes were calculated for each plant species at each quadrat. Soil samples were collected and analyzed using different standard protocols. All the collected data were analyzed using Cluster Analysis, Indicator Species Analysis and Canonical Correspondence Analysis of PCORD and CANOCO software, respectively. A total of 145 plant species were recorded belong to 62 different families. Asteraceae and Lamiaceae were the dominant families, represented by 12 species each (8.27%). Cluster Analysis classify all the stations and plants into four major plant communities as 1) Olea-Desmodium-Prunilla community. 2) Abies-Zanthoxylum-Pteracanthus community 3) Cedrus-Elaeagnus-Hypericum community 4) Alnus-Myrsine–Ranunculus community. Soil pH, electrical conductivity, soil saturation, organic matter and altitude were the significant environmental factors that play its essential role in the plant species distribution, composition, formation of major plant communities and their respective indicators in the region. It is recommended that the identified indicator and rare plant species of the investigated area can further be grown for conservation and management purposes in in-situ environment. [ABSTRACT FROM AUTHOR]

Background: Plasmodium falciparum is an obligate intracellular parasite of humans that causes malaria. Falciparum malaria is a major public health threat to human life responsible for high mortality. Currently, the risk of multi-drug resistance of P. falciparum is rapidly increasing. There is a need to address new anti-malarial therapeutics strategies to combat the drug-resistance threat. Methods: The P. falciparum essential proteins were retrieved from the recently published studies. These proteins were initially scanned against human host and its gut microbiome proteome sets by comparative proteomics analyses. The human host non-homologs essential proteins of P. falciparum were additionally analysed for druggability potential via in silico methods to possibly identify novel therapeutic targets. Finally, the PfAp4AH target was prioritized for pharmacophore modelling based virtual screening and molecular docking analyses to identify potent inhibitors from drug-like compounds databases. Results: The analyses identified six P. falciparum essential and human host non-homolog proteins that follow the key druggability features. These druggable targets have not been catalogued so far in the Drugbank repository. These prioritized proteins seem novel and promising drug targets against P. falciparum due to their key protein–protein interactions features in pathogen-specific biological pathways and to hold appropriate drug-like molecule binding pockets. The pharmacophore features based virtual screening of Pharmit resource predicted a lead compound i.e. MolPort-045–917-542 as a promising inhibitor of PfAp4AH among prioritized targets. Conclusion: The prioritized protein targets may worthy to test in malarial drug discovery programme to overcome the anti-malarial resistance issues. The in-vitro and in-vivo studies might be promising for additional validation of these prioritized lists of drug targets against malaria. [ABSTRACT FROM AUTHOR]

Staphylococcal multidrug resistance is an emerging future threat. Among staphylococci species, Staphylococcus intermedius group (SIG) comprises of coagulase-positive four staphylococci isolated from veterinary wounds and post-operative infections in humans and animals. Staphylococcus cornubiensis has been reported as a new member of this group and is associated with infections in a wide range of wild and domesticated animals as well as in humans. Cases of the antibiotic resistance in different members of the SIG are reported indicating its future threat for antibiotic therapy. The objective of this study was to determine the unique potential drug and vaccine targets for infectious S. cornubiensis NW1T. Genome-wide subtractive proteomic approach accompanied by immunoinformatics analysis was performed on the newly reported genome of S. cornubiensis NW1T. Applying a stringent comparative proteomic analyses, 35 proteins were identified as novel druggable targets based on their function in pathogen specific metabolic pathways as well as their druggablity potential. Using antigenicity and epitope prediction methods, the possible B and T-cells antigenic peptides of these pathogen-specific essential proteins were determined. As a result, six proteins were prioritized as potential vaccine candidates that fulfilled the basic criteria of effective vaccine targets. During analyses, candidate proteins of S. cornubiensis were found to carry T-cell and B-cell epitopes and predicted to interact with both class I and II MHC molecules at significantly lower IC50 values. Moreover, a leading antigenic peptide "LVDTLNAAG" from penicillin binding protein of this pathogenic bacteria was found to interact with multiple MHC alleles of class I and II with IC50 value of < 100 nM. Molecular docking showed favorable interactions between this lead antigenic peptide with human HLA-C*05:01 cell surface receptor. This peptide is predicted as a promising epitope capable of triggering the immune response against pathogenic S. cornubiensis NW1T. The candidate proteins and epitopes determined in this study may be promising novel drug and vaccine targets against infection-causing S. cornubiensis. [ABSTRACT FROM AUTHOR]

The Brucella melitensis chronic infection and drug resistance emerged as a severe health problem in humans and domestic cattle. The pathogens fast genome sequences availability fetched the possibility to address novel therapeutics targets in a rationale way. We acquired the core genes set from 56 B. melitensis publically available complete genome sequences. A stringent bioinformatics layout of comparative genomics and reverse vaccinology was followed to identify potential druggable proteins and multi-epitope vaccine constructs from core genes. The 23 proteins were shortlisted as novel druggable targets based on their role in pathogen-specific metabolic pathways, non-homologous to human and human gut microbiome proteins and their druggability potential. Furthermore, potential chimeric vaccine constructs were generated from lead T and B-cell overlapped epitopes in combination with immune enhancer adjuvants and linkers sequences. The molecular docking and MD simulation analyses ensured stable molecular interaction of a finally prioritized vaccine construct with human immune cells receptors. • A core genes set from B. melitensis complete genome sequences was analyzed for novel therapeutic targets interpretation. • 23 novel druggable proteins were identified based on their role in pathogen-specific metabolic pathways and druggability potential. • Potential chimeric vaccine constructs were designed from lead T and B-cell overlapped epitopes along with immune enhancer sequences • A lead vaccine construct was found in stable molecular interaction with immune cell receptors. [ABSTRACT FROM AUTHOR]

The removal of toxic metals like lead (Pb) and cadmium (Cd) is very urgent keeping their hazardous effects in view. In this work, seeds of Albizia lebbeck and Melia azedarach trees were converted into activated carbon adsorbents and applied for the adsorptive removal of Pb and Cd metals from an aqueous solution. The as prepared adsorbents were characterised by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The removal efficiencies of both metals were strongly dependent on their initial concentration, contact time, pH, temperature and the quantity of adsorbents. 0.2 g of both adsorbents removed respectively 75 and 62% Pb and 77 and 66% Cd from from 100 ml of a 40 mg/l concentrated solution in 120 min at pH 5 and a temperature of 20°C. Both the Freundlich and Langmuir isotherms were well fitted to the experimental data. We believe that this work will provide a convenient way to synthesise low cost activated carbon adsorbents for the remediation of highly toxic metals from wastewater to safeguard our environment for future generations. [ABSTRACT FROM AUTHOR]

The removal of toxic metals like lead (Pb) and cadmium (Cd) is very urgent keeping their hazardous effects in view. In this work, seeds of Albizia lebbeck and Melia azedarach trees were converted into activated carbon adsorbents and applied for the adsorptive removal of Pb and Cd metals from an aqueous solution. The as prepared adsorbents were characterised by Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The removal efficiencies of both metals were strongly dependent on their initial concentration, contact time, pH, temperature and the quantity of adsorbents. 0.2 g of both adsorbents removed respectively 75 and 62% Pb and 77 and 66% Cd from from 100 ml of a 40 mg/l concentrated solution in 120 min at pH 5 and a temperature of 20°C. Both the Freundlich and Langmuir isotherms were well fitted to the experimental data. We believe that this work will provide a convenient way to synthesise low cost activated carbon adsorbents for the remediation of highly toxic metals from wastewater to safeguard our environment for future generations. [ABSTRACT FROM AUTHOR]

The Mayaro virus (MAYV) belongs to genus " Alphavirus " and family "Togaviridae". MAYV has distribution in the Amazonia, Central and Northeastern regions of Brazil. The abundance of mosquito vector Haemagogus janthinomys has major role in the outbreaks of arthralgia disease in Brazil. Vaccination or immunization is an alternative approach for the protection against this disease. To search the effective candidate for vaccine against Mayaro virus , various immunoinformatics tools were used to predict both the B and T cell epitopes from five structural polyproteins (capsid, E2, 6K, E3and E1). A multi subunit vaccine was designed and the final sequence was modeled for docking with TLR-3. Human b defensin based on previous studies was used as linker. The docked complexes of vaccine-TLR-3 were then subjected to dynamics stability and RMSD and RMSF results suggested that the complexes are stable. Further, to validate our final vaccine construct, in silico cloning was carried out using E. coli as host. The CAI value of 0.96 suggests that the vaccine construct properly expresses in the host. The current findings will be useful for the future experimental validations to ratify the immunogenicity and safety of the supposed structure of vaccine, and ultimately to treat the Mayaro virus , associated infections. • Protein sequences of Mayaro virus were retrieved. • Epitopes were predicted using BCPred and NetCTL. • Molecular Docking with TLR-3 and MD simulation was carried out. • The final vaccine containing 7 CTL and 12 HTL epitopes tested for immunogenicity, which result in robust immune response. • In silico cloning was performed to check the proper expression. [ABSTRACT FROM AUTHOR]

This study investigated the phytochemical characteristics and antioxidant activity in leaves, roots, stem, flower, and seed parts of Datura alba (D. alba). The study also assessed the heavy metal (Cr, Mn, Zn, and Cu) accumulation in each part of the plant. Among the phytochemicals, alkaloids were found only in leaves while tannins, flavonoids, and phenols were present in all parts of the plant. For antioxidant activity, free radical scavenging assay for 2,2-diphenyl-1-picrylhydrazyl (DPPH) was performed using ascorbic acid as the standard. Higher activity was shown by stem extract in methanol and leaf extract in n-hexane, ethyl acetate, and chloroform. Furthermore, all the target heavy metals were detected in all plant sections with the highest concentration of Zn in leaves and Cu in stem, root, flower, and seed. Due to stronger antioxidant potential and phytochemical composition, D. alba could prove as valuable prospect in pharmaceutical formulations by taking part in the antioxidant defense system against generation of free radicals. [ABSTRACT FROM AUTHOR]

The association between microbes and plant roots involves a complex chemical dialogue featured by IAA and flavonoids in addition to other signals. Current study is focused on the role of IAA and flavonoids as essential elements of the chemical dialogue between an endophytic fungus and maize roots. The strain was isolated from the leaves of Withania somnifera and was identified as Aspergillus fumigatus greenish by 18S rDNA sequence. Culture filtrate of the strain contained phyotstimulant (IAA, ammonia and ACC) and signaling compounds including IAA, flavonoids and flavonols. The strain effectively colonized the maize roots and enhanced its growth. In order, to determine the effect of IAA and flavonoids on the ability of the endophyte to colonize maize roots, we inhibited the release of IAA and flavonoids in maize separately which reduced the colonization of endophyte in maize root to 66% and 55% of the untreated control. Similarly, application of IAA in combination with endophyte enhanced root colonization by 90% in zone of cell division, 66% in the zone of elongation and 30% in the zone of maturation. These findings determined that IAA and flavonoids are among the key players of the complex chemical dialogue between plant root and fungal endophyte. [ABSTRACT FROM AUTHOR]

In present, we have performed the Michaelis–Menten kinetics studies of urease inhibitors (6a–o), having basic skeleton of acetamide hybrids of N-substituted 1,3,4-oxadiazoles and piperidines. From the Lineweaver-Burk plot, Dixon plot and their secondary replots, it has been confirmed that all the compounds have inhibited the enzyme competitively with K i values of in range from 3.11 ± 0.2 to 5.20 ± 0.7 μM. Compound 6a was found to have lowest K i among the series, while compounds 6d, 6e, 6g and 6i were found subsequently the excellent K i values after 6a. Molecular docking has supported their types of inhibitions and structure activity-relationship. Most frequently, the nitro group oxygen atoms were found in contact with nickel ions of the active site. Moreover, all the compounds were subjected to toxicity tests and were found nontoxic against human neutrophils and plants, respectively. [ABSTRACT FROM AUTHOR]