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Hybanthus enneaspermus (L.)F.Muell. is a highly indispensable medicinal herb yielding L-Dopa, deemed the gold standard drug among the therapeutic options for Parkinson's disease. This investigation is the first attempt to evaluate the eliciting influence of carboxylic acid functionalized multi-walled carbon nanotube (MWCNT-COOH) on the biosynthesis of L-Dopa and on biomass aggregation and antioxidant metabolites in H. enneaspermus cell suspension cultures. Suspension cells were accomplished from friable calli generated from the nodal segments of H. enneaspermus in Murashige and Skoog (MS) liquid medium infused with 2 mg L -1 2, 4-Dichlorophenoxyacetic acid (2, 4-D), and 0.3 mg L -1 meta-Topolin (mT). The influence of MWCNTs on L-Dopa synthesis, biomass accumulation, and biochemical parameters was examined on the basis of the exposure time and in a concentration-dependent manner of MWCNTs. The inclusion of 30 mg L -1 MWCNTs increased the biomass and the L-Dopa level by 2.00 and 16.37-folds, respectively, compared with that of the control. Furthermore, the effect of MWCNTs on physiological parameters such as catalase (CAT), superoxide dismutase (SOD), glutathione peroxidase (GPX), ascorbate peroxidase (APX), hydrogen peroxide (H 2 O 2 ), malondialdehyde (MDA) content, 2-diphenylpicrylhydrazyl (DPPH), and ferric-reducing ability of plasma (FRAP) was examined over the elicited cells. Among the antioxidant enzymatic activities, CAT enhanced 8.0 fold compared with that of the control. MDA and DPPH content enhanced 2.60 and 1.12 folds, respectively, compared with that of the control. The current study showed that MWCNTs offer new possibilities for their usage over in vitro by acting as potential innovative plant metabolite elicitors and stress-protecting entities., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Masson SAS. All rights reserved.)

Hair dyeing is a popular practice dating back to ancient Egyptian times. Initially, hair dye use was restricted to concealing grey and white hairs of the elderly population. However, in recent times, its use is common among the younger generation as a fashion statement. Hair dye contact dermatitis is a common dermatological condition encountered by dermatologists. It is a delayed type of hypersensitivity reaction that commonly affects the scalp and the vicinity of hair line and neck. Para-phenylenediamine (PPD), a synthetic aromatic amine is the most common allergen specifically implicated in hair dye contact dermatitis. Para-phenylenediamine was announced as the allergen of the year in 2006 by the American Contact Dermatitis Society. Contact allergy to para-phenylenediamine can occur in 0.1-2.3% of the general population. Epicutaneous patch testing is the gold standard test for the diagnosis of hair dye contact dermatitis. However, para-phenylenediamine carries a risk of cross-sensitivity and co-sensitization to other allergens. Apart from contact dermatitis, hair dye use is also associated with various other cutaneous adverse effects such as pigmentary changes, hair loss, skin malignancies and autoimmune disorders. Due to the various adverse effects associated with hair dye use, it is prudent to look for safer alternatives to allergenic hair dyes. In this article, we review the epidemiology, cutaneous and systemic adverse effects associated with hair dye use, patch testing, preventive strategies to minimize the risk of hair dye contact dermatitis, and treatment aspects.

The nanoparticles have unique and superior properties which make them applicable in almost every field of human life. Among the various methods that exist for the synthesis of nanoparticles, green synthesis is one of the best economic and eco-friendly methods compared with other conventional chemical methods. The nanoparticles synthesized by this method are also free from toxicity properties. This paper describes one such green synthesis method for zinc oxide nanoparticles (ZnO NPs) using the aqueous flower extract of Senna auriculata. The synthesized nanoparticles (SA-ZnO NPs) have been examined using UV-Vis spectrophotometer, photoluminescence spectroscopy, Fourier-transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and X-ray diffraction (XRD) analysis. The antibacterial and antifungal activities of the synthesized NPs were evaluated against gram-positive bacteria (S. aureus, B. subtilis), gram-negative bacteria (E. coli, S. typhi) and fungal organisms (C. albicans, A. nigar) using disc diffusion method. Furthermore, the antidiabetic and anticancer activities of the NPs were also been examined by α-amylase inhibition assay and MTT assay, respectively. These studies ensured that the SA-ZnO NPs have significant antimicrobial, antidiabetic and anticancer activities., (© 2022. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

Rice blast caused by Pyricularia oryzae is one of most devastating fungal diseases in rice, reducing the annual yield of rice worldwide. As an alternative to fungicide for curbing rice blast, synthesis of nickel-chitosan nanoparticles (Ni-Ch NPs) was performed with nickel chloride and assessed its efficacy in inflating plant growth and hindrance of Pyricularia oryzae (blast pathogen). Characterization of Ni-Ch NPs from SEM, TEM, and DLS analyses showed smooth- and spherical-shaped nanoparticles in the range of 20-70 nm. Colloidal stability of NPs was revealed from Zeta potential exhibiting polydispersity index of 0.22. EDX spectroscopy corroborated the presence of nickel (14.05%) in synthesized Ni-Ch NPs. A significant increase in germination and growth attributes in terms of shoot and root length and number of lateral roots over control was observed in paddy seeds on the treatment with Ni-Ch NPs. Furthermore, the application of NPs in paddy plants under glasshouse condition demonstrated a remarkable improvement in plant growth. Protein profiling of NP-treated plants revealed new polypeptides (Rubisco units) enlightening the enhanced photosynthetic rate. Also, Asian rice exhibited reduced blast symptoms on leaves treated with NPs under glasshouse condition while displaying 64% mycelia inhibition in Petri plates. All these results suggest that nickel-chitosan nanoparticles could be exploited as an effective plant growth promoter cohort in controlling rice blast disease., (© 2022. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

Dengue, one of the mosquito-borne viral infections, is a major public health concern across the world. The global incidence of dengue insists the need for a potent antiviral medication for its treatment. Flavonoids are one of the well-known antiviral agents which are being studied with great interest on several viruses including dengue virus. In order to find the structural properties which favor antiviral activity in flavonoids in dengue polymerase, a quantitative structural activity relationship study is performed on a set of 33 flavonoids using multiple linear regression method. Our method showed that the descriptors such as hydrogen bond acceptors, branching index with respect to molecular size and electrotopology of carbon atom explain well the variance in the antiviral activity of flavonoids and the results are statistically significant. The differential interaction pattern observed in docking studies confirms the novelty of the model. The model is applied on a set of flavonoid derivatives, which predicted compounds, 5-hydroxy-3,3',4',6,7,8-hexamethylflavone, 4',5,6,7-tetramethylflavone, and 7″-methylamentoflavone as potent dengue polymerase inhibitors.

Identifying the interactions between drugs and target proteins is a key step in drug discovery. This not only aids to understand the disease mechanism, but also helps to identify unexpected therapeutic activity or adverse side effects of drugs. Hence, drug-target interaction prediction becomes an essential tool in the field of drug repurposing. The availability of heterogeneous biological data on known drug-target interactions enabled many researchers to develop various computational methods to decipher unknown drug-target interactions. This review provides an overview on these computational methods for predicting drug-target interactions along with available webservers and databases for drug-target interactions. Further, the applicability of drug-target interactions in various diseases for identifying lead compounds has been outlined., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.)

Dengue is an important public health problem in tropical and subtropical regions of the world. Neither vaccine nor an antiviral medication is available to treat dengue. This insists the need of drug discovery for dengue. In order to find a potent lead molecule, RNA-dependent RNA polymerase which is essential for dengue viral replication is chosen as a drug target. As Quercetin showed antiviral activity against several viruses, quercetin derivatives developed by combinatorial library synthesis and mined from PubChem databases were screened for a potent anti-dengue viral agent. Our study predicted Quercetin 3-(6″-(E)-p-coumaroylsophoroside)-7-rhamnoside as a dengue polymerase inhibitor. The results were validated by molecular dynamics simulation studies which reveal water bridges and hydrogen bonds as major contributors for the stability of the polymerase-lead complex. Interactions formed by this compound with residues Trp795, Arg792 and Glu351 are found to be essential for the stability of the polymerase-lead complex. Our study demonstrates Quercetin 3-(6″-(E)-p-coumaroylsophoroside)-7-rhamnoside as a potent non-nucleoside inhibitor for dengue polymerase.

Background: This preliminary study assesses the effects of initial periodontal treatment on salivary levels of 8-hydroxy-deoxyguanosine (8-OHdG) as a marker of oxidative stress in patients with chronic periodontitis (CP)., Methods: At baseline, clinical parameters and saliva samples were obtained from 20 patients with CP and 10 patients with clinically healthy periodontium. Saliva samples were collected, and clinical periodontal measurements were repeated at 2, 4, and 8 weeks after initial periodontal therapy in patients with CP. An enzyme-linked immunosorbent assay was used to investigate 8-OHdG levels of saliva samples., Results: Statistically significant higher 8-OHdG levels of saliva and a significant decrease after initial periodontal therapy were determined in the CP group (p < 0.001). A significant positive correlation was found between 8-OHdG levels of saliva and clinical periodontal measurements (p < 0.001)., Conclusion: Within the limits of this short-term preliminary study it can be concluded that the estimation of 8-OHdG levels in saliva may be used to evaluate the oxidative stress in periodontitis patients. It also appears that oxidative stress, which is reflected by salivary 8-OHdG levels, might reflect the present status of periodontal health., (Copyright© by the International Academy of Periodontology.)

Dengue is a major public health concern in tropical and subtropical countries of the world. There are no specific drugs available to treat dengue. Even though several candidates targeted both viral and host proteins to overcome dengue infection, they have not yet entered into the later stages of clinical trials. In order to design a drug for dengue fever, newly emerged fragment-based drug designing technique was applied. RNA-dependent RNA polymerase, which is essential for dengue viral replication is chosen as a drug target for dengue drug discovery. A cascade of methods, fragment screening, fragment growing, and fragment linking revealed the compound [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate as a potent dengue viral polymerase inhibitor. Both strain energy and binding free energy calculations predicted that this could be a better inhibitor than the existing ones. Molecular dynamics simulation studies showed that the dengue polymerase-lead complex is stable and their interactions are consistent throughout the simulation. The hydrogen-bonded interactions formed by the residues Arg792, Thr794, Ser796, and Asn405 are the primary contributors for the stability and the rigidity of the polymerase-lead complex. This might keep the polymerase in closed conformation and thus inhibits viral replication. Hence, this might be a promising lead molecule for dengue drug designing. Further optimization of this lead molecule would result in a potent drug for dengue.

In vitro experiments were carried out to test the efficacy of GNP (β-D-glucan nanoparticle prepared from mycelium of Pythium aphanidermatum) against rhizome rot disease of turmeric (Curcuma longa L.) caused by P. aphanidermatum. GNP (0.1%, w/v) was applied to rhizome prior to inoculation with P. aphanidermatum (0 h, 24 h). Cell death, activities of defense enzymes such as peroxidase, polyphenol oxidase, protease inhibitor and β-1,3 glucanase were monitored. Prior application of GNP (24 h) to turmeric rhizome effectively controls P. aphanidermatum infection. The increase in defense enzyme activities occurred more rapidly and was enhanced in P. aphanidermatum infected rhizomes that were pre-treated with GNP. Pre-treatment also induced new isoforms of defense enzymes. Increased activities of defense enzymes suggest that they play a key role in restricting the development of disease symptoms in the rhizomes as evidenced by a reduction in cell death. The results demonstrated that GNP can be used as a potential agent for control of rhizome rot disease., (Copyright © 2014 Elsevier B.V. All rights reserved.)

The soilborne Oomycete Pythium aphanidermatum is the causal agent of rhizome rot disease, one of the most serious threats to turmeric crops. At present, effective fungicides are not available. Researches on nanoparticles in a number of crops have evidenced the positive changes in gene expression indicating their potential use in crop improvement. Hence, experiments were carried out to determine the effect of β-D-glucan nanoparticles (nanobiopolymer) in protection of turmeric plants against rot disease by the way of products that reinforce plant's own defense mechanism. Foliar spray of β-D-glucan nanoparticles (0.1%, w/v) elicited marked increase in the activity of defense enzymes such as peroxidases (E.C.1.11.1.7), polyphenol oxidases (E.C.1.14.18.1), protease inhibitors (E.C.3.4.21.1) and β-1,3-glucanases (E.C.3.2.1.39) at various age levels. Constitutive and induced isoforms of these enzymes were investigated during this time-course study. β-D-glucan nanoparticles (GNPs) significantly reduced the rot incidence offering 77% protection. Increased activities of defense enzymes in GNPs-applied turmeric plants may play a role in restricting the development of disease symptoms. These results demonstrated that GNPs could be used as an effective resistance activator in turmeric for control of rhizome rot disease., (Copyright © 2014 Elsevier B.V. All rights reserved.)

The rhizome rot caused by Pythium aphanidermatum is one of the most devastating diseases of the turmeric crop. Fungicides are unable to control the rapidly evolving P. aphanidermatum and new control strategies are urgently needed. This study examined the effect of β-d-glucan nanoparticles (GNP) in turmeric plants under field condition by the foliar spray method. Enhanced plant growth, rhizome yield, and curcumin content demonstrate the positive effect of the GNP on turmeric plants. Rapid activation of various defense enzymes was also observed in leaves and rhizomes of treated plants. GNP-treated plants showed a decreased rot incidence. It may be possible that increased defense enzymes might have played a role in reducing the colonization of pathogen., (Copyright © 2015 Elsevier B.V. All rights reserved.)

This work demonstrates the preparation of β-D-glucan (isolated from the cell wall of Pythium aphanidermatum) nanoparticles through the addition of 2% (w/v) sodium hydroxide to β-D-glucan solution with constant stirring at 90°C. Addition of sodium tripolyphosphate (TPP) aids the stable formation of nanoparticles. Fourier transform infrared (FTIR) spectroscopy confirmed phosphoric groups of TPP linked with OH group of β-D-glucan in the nanoparticles. The formation of nanoparticles was observed by the peak at 386 nm using UV-vis spectroscopy. The average size of nanoparticle as determined by Zetasizer was about 60 nm, while the zeta potential was negative. Scanning electron microscope image showed spherical, smooth and almost homogenous structure for nanoparticles with size ranging from 20 to 50 nm. Further analysis by TEM, indicated polydispersity with an average size of 20-30 nm. The XRD analysis confirmed the crystalline structure of β-glucan nanoparticle. The prepared nanoparticles exhibited antifungal activity against P. aphanidermatum, a devastating fungus which affects major crop plants., (Copyright © 2014 Elsevier B.V. All rights reserved.)

Chitosan was evaluated for its potential to induce antifungal hydrolases in susceptible turmeric plant (Curcuma longa L.). Under field conditions, the application of chitosan (crab shell) to turmeric plants by foliar spray method induces defense enzymes such as chitinases and chitosanases. Such an increase in enzyme activity was enhanced by spraying chitosan (0.1% w/v) on leaves of turmeric plants at regular intervals. Gel electrophoresis revealed new chitinase and chitosanase isoforms in leaves of turmeric plants treated with chitosan. Treated turmeric plants showed increased resistance towards rhizome rot disease caused by Pythium aphanidermatum, whereas control plants expressed severe rhizome rot disease. Increased activity of defense enzymes in leaves of chitosan treated turmeric plants may play a role in restricting the development of disease symptoms. The eliciting properties of chitosan make chitosan a potential antifungal agent for the control of rhizome rot disease of turmeric.

Introduction: Leprosy is a slowly progressing bacterial infection caused by Mycobacterium leprae. The World Health Organization recommended multidrug therapy (MDT) which is extremely effective and halts the progress of the disease. Even though the objective of eliminating leprosy as a public health problem has been achieved successfully, leprosy is not yet eradicated. Furthermore, the long-term use of MDT results in single- and multidrug resistance. Therefore, there is still a need for new drug discovery for leprosy., Areas Covered: The authors explain the importance of discovery of new drug to leprosy and the significance of homology modeling to drug discovery. This review highlights the principle steps, applications, and the resources of homology modeling. Finally, the authors emphasize the application of different structure-based drug design (SBDD) approaches to design novel therapeutics for leprosy., Expert Opinion: MDT has proved to be effective in controlling infection, with prevalence of leprosy now predominantly isolated to the developing countries. The emergence of single- and multidrug-resistant strains of M. leprae has, however, provided some concern with the need for newer antibacterial agents. Drug resistance can be overcome by multi-targeted therapy. SBDD approaches, which reported many successful drugs, depend predominantly on the three-dimensional (3D) structure of drug targets. As of 2013, only very few experimental structures are available for M. leprae proteins. Hence, SBDD, in leprosy research, relies heavily on homology modeling to predict the 3D structure of drug targets and to design better therapeutics.

Leprosy remains a major public health problem, since single and multi-drug resistance has been reported worldwide over the last two decades. In the present study, we report the novel multi-targeted therapy for leprosy to overcome multi drug resistance and to improve therapeutic efficacy. If multiple enzymes of an essential metabolic pathway of a bacterium were targeted, then the therapy would become more effective and can prevent the occurrence of drug resistance. The MurC, MurD, MurE and MurF enzymes of peptidoglycan biosynthetic pathway were selected for multi targeted therapy. The conserved or class specific active site residues important for function or stability were predicted using evolutionary trace analysis and site directed mutagenesis studies. Ten such residues which were present in at least any three of the four Mur enzymes (MurC, MurD, MurE and MurF) were identified. Among the ten residues G125, K126, T127 and G293 (numbered based on their position in MurC) were found to be conserved in all the four Mur enzymes of the entire bacterial kingdom. In addition K143, T144, T166, G168, H234 and Y329 (numbered based on their position in MurE) were significant in binding substrates and/co-factors needed for the functional events in any three of the Mur enzymes. These are the probable residues for designing newer anti-leprosy drugs in an attempt to reduce drug resistance., (Copyright © 2012 Elsevier B.V. All rights reserved.)

Salmonella typhimurium is a Gram-negative bacterium responsible for human diseases including gastroenteritis and typhoid fever and its quorum sensing system is currently being intensively researched. Molecular modeling and binding site analysis of SdiA homolog, a putative quorum sensor of the LuxR family and responsible for S. typhimurium pathogenecity revealed a high structural homology of their active site with three other LuxR family proteins LasR from Pseudomonas aeruginosa, TraR from Agrobacterium tumifaciens and CviR from Chromobacterium violaceum. The results show that all the LuxR family proteins harbor three conserved amino acids Tryptophan (W67) and Aspartic acid (D80) for formation of hydrogen bridges and Tyrosine (Y71) for the hydrophobic interactions (corresponding to their position in S. typhimurium SdiA) with acyl homoserine lactones (AHL)-dependent transcriptional regulators. However, in addition to the above conserved residues, Arginine (R60) also plays an important role in S. typhimurium SdiA binding with its AHL auto inducers and the complex is found to be stronger because of the interactions between nitrogen atoms of Arginine with the carbonyl oxygen in the lactone ring of AHL. The specific binding patterns would be helpful in guiding both enzymatic studies as well as design of specific inhibitors to overcome S. typhimurium pathogenecity.