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Publications (60)
Control of diabetic complications including diabetic retinopathy involves suppression of multiple factors; hence the need for multi-target drugs is appreciable. Anti-inflammatory agents could have a dual effect on cancers, one by suppressing cancer mediating pathways, and by inhibiting aldose reductase enzyme (ALR2), proceeding with ALR2 inhibition...
Aldose reductase (ALR2) activation in the polyol pathway has been implicated as the primary mechanism for the progression of diabetic retinopathy. Most of the aldose reductase inhibitors (ARIs), used for the treatment of diabetic complications, were withdrawn due to ineffective treatment and adverse side effects caused by nonspecificity. Epalrestat...
Objective: The objectives of this research are to identify the potentials of active phytochemicals from Ocimum sanctum as anticancer agents, by inhibiting the epidermal growth factor receptor (EGFR), one of the highly expressed proteins inducing metastasis in oral squamous cell carcinoma (OSCC) as well as other cancers.Methods: The phytochemicals f...
Objective: The objectives of this research are to identify the potentials of active phytochemicals from Ocimum sanctum as anticancer agents, by inhibiting the epidermal growth factor receptor (EGFR), one of the highly expressed proteins inducing metastasis in oral squamous cell carcinoma (OSCC) as well as other cancers.Methods: The phytochemicals f...
Hyperglycemia invoke number of pathways resulting in development of diabetic retinopathy (DR), including protein kinase C activation, increased expression of VEGF, advanced glycation end product (AGEs) formation and activation of polyol pathway, among which the pathophysiology of aldose reductase (ALR2) of the polyol pathway is evident by more than...
Sympathetic innervation of lymphoid organs and presence of 17β-estradiol and adrenergic receptors (ARs) on lymphocytes suggests that sympathetic stimulation and hormonal activation may influence immune functions. Simulation of these pathways may help to understand the dynamics of neuroendocrine-immune modulation at the cellular and molecular level....
Objective: The present research was aimed to understand the molecular docking efficiency of a plant-derived compound cleistanthin-A and a common ingredient in tobacco consumption nicotine with nicotinic acetylcholine receptor (nAChR).Methods: The 3-D structure of nAChR was retrieved from the protein data bank (ID 5AFH). Ligand was obtained from the...
Objective: Glycogen synthase kinase 3 beta (GSK3β) is one of the main targets for wound healing activity. Our objective is to identify novel inhibitors for GSK3β using in silico approach.Methods: Grid-based molecular docking, energy-based pharmacophore (e-pharmacophore) modeling, and molecular dynamics (MD) studies were performed for phytocompounds...
Background: Diabetes and cancer have been the leading cause of mortality all over the world. Studies on association between diabetes and cancers over a decade indicate a positive relationship between them. Epidemiologic evidence suggests that people with diabetes are prone to various types of cancers. This work suggests a novel strategy for the tre...
The G-protein coupled receptors (GPCR) form a major group of the target for centrally acting drugs. One of the Class C GPCRs, mGluR5 plays a major role in the learning and memory of the brain. Under perturbed conditions, the activity may result in excito-toxicity, neuro-toxicity and also may lead to epilepsy. The competitive ligands for this recept...
Objective: The objective of this research was to determine early advanced glycation end-product (AGE) inhibition by natural aldose reductase inhibitors (ARIs), quercetin and catechin.Methods: The assay mixture (4 ml) consisted of 2 ml of 50 mM phosphate-buffered saline (pH 7.4), 50 μg/μl bovine serum albumin (BSA), and 2 mM glucose with or without...
The outbreak of Chikungunya fever worldwide has raised a threat to human health and an economic burden on the affected countries. Currently, there is no cure for Chikungunya. The computational methods assist in identifying the drug leads for the target. This work reports the potential phytochemical inhibitors against a unique macro domain present i...
Aim and objective:
Actinomycetes produce structurally unique secondary metabolites with pharmaceutically essential bioactivities. Salinispora, an obligate marine actinomycete, produces structurally varied and unique secondary metabolites. There is plenty of scope for development of drugs from the novel compounds isolated from Salinispora. Anticanc...
Objective: Indole-based compounds have established many pharmacological applications. Indole acts as a starting compound for various medicinal preparations. Our objective is to determine the possible pharmacological roles of our crystallized indole-based ligand using computational approach. The activities studied are antibacterial, antitubercular,...
Plants and plant derived products are used for human healthcare since the dawn of human civilization. About 80% of modern drugs are from natural origin. Many dreadful diseases like cancer are treated using drugs of natural origin. In the present study, a medicinal plant B.variegata linn. leaves were investigated for its anti-colon cancer activity u...
Objective: Interleukin 1 receptor antagonist (IL1Ra) acts as an antagonist to Interleukin 1 beta (IL1β) signalling in maintaining homeostasis. A loss of function due to Single Nucleotide Polymorphism (SNP) occurrence in IL1Ra can lead to dysregulated state as seen in autoimmune disease pathogenesis. The current study aims at achieving conformationa...
Objective: The reason behind the occurrence of Neural Tube Defects (NTDs) in pregnant women treated with certain Anti-Epileptic Drugs (AEDs) such as Carbamazepine, Valproate, Lamotrigine, Phenobarbital, etc., is not yet known. The relationship between Folic Acid intake and NTDs is not yet established. Folate receptors play a critical role in mediat...
In Escherischia coli, AcrB is an inner membrane transporter that cooperates with a membrane fusionprotein, AcrA and an outer membrane channel TolC, to export a wide variety of drugs directly out of the cell, bypassing the periplasm. By overproducing such membrane transport proteins, E. coli and other human pathogenic bacteria are able to achieve mu...
Inflammation is part of the complex biological response of vascular tissues to harmful stimuli, such as pathogens, damaged cells, or irritants. Cyclooxygenase-2 (COX-2) and inducible Nitric Oxide Synthase (iNOS) plays an important role in inflammation and thus they act as a promising molecular target for the treatment of many inflammatory diseases....
The voluminous information available on the Web necessitates the integrative approach which retrieves sequence and process the information. The Semantic Web technology promises to store, share, and retrieve information with meaningful relationships. Semantic Web technology also allows to link heterogeneous data model into graphical form without cha...
The semantic Web technology enables users to represent, share and discover heterogeneous data through formal ontologies. Semantic
Web technologies also allow to link information thus moving from document centric idea of current Web to more fine grained
semantic structures. The biological community requires more sophisticated methods to store, integ...
Pseudomonas aeruginosa and Escherichia coli are resistant to wide range of antibiotics rendering the treatment of infections very difficult. A main mechanism attributed to the resistance is the function of efflux pumps. MexAB-OprM and AcrAB-TolC are the tripartite efflux pump assemblies, responsible for multidrug resistance in P. aeruginosa and E....
Yersinia pestis, a gram negative bacillus, spreads via lymphatic to lymph nodes and to all organs through the bloodstream, causing plague. Yersinia outer protein H (YopH) is one of the important effector proteins, which paralyzes lymphocytes and macrophages by dephosphorylating critical tyrosine kinases and signal transduction molecules. The purpos...
Objective: To evaluate the in vitro antioxidant potential of commonly consumed fifteen legume seeds. Methods: The antioxidant potential of the fifteen legume seed proteins was evaluated by using 2, 2-diphenyl-1-picrylhydrazyl (DPPH) scavenging,
ferric reducing power and reducing power assays. The total protein content of legume seeds was analysed....
Sporolide A and Sporolide B are novel polycyclic macrolides from the obligate marine actinomycetes, Salinispora tropica. The unique and novel structure of sporolides makes them interesting candidates for targeting diverse biological activities. Biological target prediction of sporolides was carried out using Ligand-based pharmacophore screening aga...
Background
Infectious diseases are major public health problem. It is increasingly affecting more than 50 million people worldwide. Targeting shikimate pathway could be efficiently used for the development of broad spectrum antimicrobial compound against variety of infectious diseases. Chorismate synthase is an enzyme in shikimate pathway that cata...
Ebolavirus, a member of the Filoviridae family of negative-sense RNA viruses, causes severe haemorrhagic fever leading up to 90%
lethality. Ebolavirus matrix protein VP40 is involved in the virus assembly and budding process. The RNA binding pocket of VP40
is considered as the drug target site for structure based drug design. High Throughput Virtua...
Abstract
Background:
Dengue hemorrhagic fever is a mosquito-borne, re-emerging infectious disease in many areas of the world, which affects 50 to 100 million human and causes 24,000 deaths every year. Currently, no specific drug is available for dengue fever. Dengue fever is caused by Flavivirus. Methyl transferase (MTase) is particularly important...
Background
Artemisia parviflora leaf extracts were evaluated for potential antimicrobial and antioxidant properties. Antimicrobial susceptibility assay was performed against ten standard reference bacterial strains. Antioxidant activity was analyzed using the ferric thiocyanate and 2, 2-Diphenyl-1-Picrylhydrazyl (DPPH) assays. Radical scavenging ac...
Problem statement: World Wide Web (WWW) consisting large volume of information related with medicinal plants. However health care recommendation with Indian Medicinal Plants becomes complicated because valuable Information about medicinal resources as plants is scattered, in text form and unstructured. Search engines are not quite efficient and req...
Nitric-oxide synthase (NOS) is a therapeutic target to modulate pathologically high nitric oxide (NO) synthesis. Nitric oxide synthase could be a potential target for novel antioxidant strategies. Phaseolus vulgaris possesses many bioactive compounds. In this study the compounds from the plant were analyzed for their bioactivity against the nitric...
A molecular docking investigation was carried out on secondary metabolites from the marine actinomycete, Salinispora to identify their bioactive targets. Over-expression of epidermal growth factor receptor (EGFR) is an essential feature in the Basal-like breast cancer, for which there are currently no therapies. Hence a docking study was carried ou...
Nitric-oxide synthase (NOS) is a therapeutic target to modulate pathologically high nitric oxide (NO) synthesis. Nitric oxide synthase could be a potential target for novel antioxidant strategies. Phaseolus vulgaris possesses many bioactive compounds. In this study the compounds from the plant were analyzed for their bioactivity against the nitric...
Prevalence of multidrug resistant Pseudomonas aeruginosa strains in clinical setup demands the need for developing potent drugs against efflux mechanisms. In this study, drug-like molecules with structural similarity to the known efflux inhibitor were used in order to screen for potential inhibitors. A total of 167 compounds were screened and the G...
Pseudomonas aeruginosa shows high degree of intrinsic resistance to a wide variety of antimicrobial agents. Efflux pump is a major mechanism of resistance exhibited by P. aeruginosa. The benefits of broad-spectrum efflux pump inhibitors (EPIs) led to the screening of synthetic and natural product databases for identifying inhibitors of the Mex pump...
The biological community requires more sophisticated methods to store, integrate and query their knowledge. The semantic Web technology enables to represent, share and discover heterogeneous data through formal ontologies. Semantic Web technologies also allow to link information thus moving from document centric idea of current Web to more fine gra...
ETHNOPHARMACOLOGICAL RELEVANCE: Acalypha indica, Cassia alata, Lawsonia inermis, Punica granatum, Thespesia populnea and Wrightia tinctoria are folklore medicines extensively used in the treatment of ringworm infections and skin related diseases in Tamil Nadu, India.
AIM: The present study was designed to investigate the in vitro antifungal activit...
Laccase (E.C. 1.10.3.2) is one of the well-studied enzymes used for bioremediation of xenobiotics such as phenols, anilines, etc. Present study utilizes protein-ligand docking (Glide–Schrödinger) as a tool for increasing the efficiency of laccase through site directed mutagenesis. The protein taken for our analysis is Laccase from co crystallized w...
The six organic solvent extracts of Artemisia nilagirica were screened for the potential antimicrobial activity against phytopathogens and clinically important standard reference bacterial strains.
The agar disk diffusion method was used to study the antibacterial activity of A. nilagirica extracts against 15 bacterial strains. The Minimum Inhibito...
An ethanol extract of Terminalia chebula fruit was studied for its antibacterial activity against clinically important standard reference bacterial strains. The antimicrobial susceptibility was screened using the disc diffusion method and the minimum inhibitory concentration (MIC) was determined using the broth microdilution method. The results sho...
Wrightia tinctoria leaf hexane, methanol and ethanol extracts were screened against skin bacteria and dermatophytes by in vitro. The extracts were tested using agar dilution method and broth micro dilution method. Methanol and ethanol extracts showed antibacterial activity; the MIC was 0.5 mg/ml for Bacillus subtilis and Staphylococcus epidermidis;...
Non-nodulating (Nod-) legumes are very useful for studies on biological nitrogen fixation as non-fixing references. The chickpea variants, ICC4918 M and ICC4993 M, developed by pure line selection from their normal nodulating parents ICC4918 and ICC4993 for lack of nodulation, formed normal root hairs (Rupela, 1992). Specific flanovoids are known t...
Rhizobia utilize phenolic substances as sole carbonsource. Bradyrhizobium japonicum utilizescatechin, a unit of condensed tannin as carbonsource. To establish the degradative pathway ofcatechin, the products of catechin degradation wereisolated by paper chromatography and TLC andidentified by HPLC, UV, IR and NMR spectra. B.japonicum cleaves catech...
There are hundreds of commercial production units in India for microbial inoculants; nearly 20 of these have installed capacity to produce three million packages or more per unit per annum. Yet inoculant production is constrained by the lack of microbial strain efficiency and quality. To develop suitable Rhizobium inoculants and devise agronomic pr...
Catechin, a condensed tannin was utilized as sole carbon source by Bradyrhizobium japonicum. Protocatechuic acid, phloroglucinolcarboxylic acid, phloroglucinol, resorcinol and hydroxyquinol were identified as intermediates of catechin degradation. The aromatic substrates favoured good growth up to 5 or 10 mm. B. japonicum tolerated up to 50 mm cate...
Gene mutation in COMT and GRM3 are one of the causes for Schizophrenia. Their amino acid sequences are retrieved; their 3D structures were determined by homology modelling. The 3D structures of the compounds of Valeriana wallichii, Acorus calamus and Asparagus racemosus were sketched using Chemsketch & converted to 3D. These compounds were virtuall...
