A5053524809- Phytochemicals and Medicinal Plants
- Computational Drug Discovery Methods
- Research on Leishmaniasis Studies
- Trypanosoma species research and implications
- Polyamine Metabolism and Applications
- Cell death mechanisms and regulation
- Chemical Synthesis and Analysis
- Telomeres, Telomerase, and Senescence
- RNA and protein synthesis mechanisms
- Electrochemical Analysis and Applications
- CRISPR and Genetic Engineering
- Retinoids in leukemia and cellular processes
- Viral Infectious Diseases and Gene Expression in Insects
- Natural Antidiabetic Agents Studies
- Toxin Mechanisms and Immunotoxins
- Biochemical Acid Research Studies
- Biotechnology and Related Fields
- Endoplasmic Reticulum Stress and Disease
- Medicinal Plants and Neuroprotection
- Lipid Membrane Structure and Behavior
- Synthesis and bioactivity of alkaloids
- Quinazolinone synthesis and applications
- Galectins and Cancer Biology
- Click Chemistry and Applications
- Beetle Biology and Toxicology Studies
Indian Institute of Technology Delhi
2012-2021
Alagappa University
2011
Abstract Ashwagandha is an important herb used in the Indian system of traditional home medicine, Ayurveda. Alcoholic extract (i-Extract) from its leaves and component, withanone, were previously shown to possess anticancer activity. In present study, we developed a combination withanone withaferin A, major withanolides i-Extract, that retained selective cancer cell killing activity found it also has significant antimigratory, -invasive, -angiogenic activities, both vitro vivo assays. Using...
Abstract Maintenance of telomere length is the most consistent attribute cancer cells. Tightly connected to their capacity overcome replicative mortality, it achieved either by activation telomerase or an Alternative mechanism Lengthening Telomeres (ALT). Disruption these mechanisms has been shown induce DNA damage signalling leading senescence apoptosis. Telomerase inhibitors are considered as potential anticancer drugs but ineffective for ALT cancers (~15% all cancers). Withaferin-A...
Leishmaniasis is caused by several species of leishmania protozoan and one the major vector-born diseases after malaria sleeping sickness. Toxicity available drugs drug resistance development protozoa in recent years has made cure difficult challenging. This urges need to discover new antileishmanial-drug targets development.Tertiary structure leishmanial protein kinase C was predicted found stable with a RMSD 5.8Å during MD simulations. Natural compound withaferin A inhibited at its active...
Embelin, a natural quinone found in the fruits of Embelia ribes, is commonly used Ayurvedic home medicine for variety therapeutic potentials including anti-inflammation, anti-fever, anti-bacteria and anti-cancer. Molecular mechanisms these activities cellular targets have not been clarified to-date. We demonstrate that embelin inhibits mortalin-p53 interactions, activates p53 protein tumor cells. provide bioinformatics, molecular docking experimental evidence to binding affinity with...
Tumor suppressor p53 protein is frequently mutated in a large majority of cancers. These mutations induce local or global changes structure thereby affecting its binding to DNA. The structural differences between the wild type and mutant thus provide an opportunity selectively target harboring cancer cells. Restoration activity mutants using small molecules that can revert have been considered for therapeutics.We used bioinformatics molecular docking tools investigate proteins (p53V143A,...
Poor bioavailability due to the inability cross cell membrane is one of major reasons for failure a drug in clinical trials. We have used molecular dynamics simulations predict permeability natural drugs-withanolides (withaferin-A and withanone) that similar structures but remarkably differ their cytotoxicity. found whereas withaferin-A, could proficiently transverse through model membrane, withanone showed weak permeability. The free energy profiles interaction withanolides with bilayer...
Hypericin, a natural compound from Hypericum perforatum (St. John's wort), has been identified as specific inhibitor of Leishmania donovani spermidine synthase (LdSS) using integrated computational and biochemical approaches. Hypericin showed in vitro inhibition recombinant LdSS enzyme activity. The vivo estimation levels promastigotes after hypericin treatment significant decreases the pools parasites, indicating target specificity molecule. inhibitor, hypericin, antileishmanial activity,...
Cyclooxygenase-2 (COX-2) produces prostaglandins in inflamed tissues and hence has been considered as an important target for the development of anti-inflammatory drugs since long. Administration traditional non-steroidal (NSAIDs) other COX-2 selective inhibitors (COXIBS) treat inflammation found to be associated with side effects, which mainly includes gastro-intestinal (GI) toxicity. The present study involves developing a virtual library novel molecules high druglikeliness using...
Abstract Withaferin-A is a withanolide, predominantly present in Ashwagandha ( Withania somnifera ). It has been shown to possess anticancer activity variety of human cancer cells vitro and vivo . Molecular mechanism such cytotoxicity not yet completely understood. Withanone were earlier activate p53 tumor suppressor oxidative stress pathways cells. 2,3-dihydro-3β-methoxy analogue (3βmWi-A) was lack well tolerated at higher concentrations. It, on the other hand, protected normal against...
Bcl-2 family of proteins consists both pro-apoptotic and anti-apoptotic members that control cellular apoptosis. They predominantly reside in the mitochondria release apoptotic factors from to cytosol by regulating its membrane potential opening PT (permeability transition) pore. Here we report bioinformatics biochemical evidence demonstrate interaction between Bcl-xL with a stress chaperone, mortalin. We such results abrogation mortalin-p53 leading nuclear translocation transcriptional...
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) is a critical enzyme involved in gluconeogenesis, glyceroneogenesis and cataplerosis. cPEPCK converts oxaloacetic acid (OAA) into phosphoenol pyruvate (PEP) the presence of GTP. known to be associated with type 2 diabetes. Genistein an isoflavone compound that shows anti-diabetic anti-obesitic properties. Experimental studies have shown decrease blood glucose level genistein by lowering functional activity cPEPCK, gluconeogenesis. Using...
Leishmaniasis 1 1These authors contributed equally.Communicated by Ramaswamy H. SarmaCommunicated Sarma is an endemic disease mainly caused the protozoan Leishmania donovani (Ld). Polyamines have been identified as essential organic compounds for growth and survival of Ld. These are synthesized in Ld polyamine synthesis pathway comprising many enzymes such ornithine decarboxylase (ODC), spermidine synthase (SS), S-adenosylmethionine decarboxylase. Inhibition these offers a viable prospect to...
Abstract Poor bioavailability due to the inability cross cell membrane is one of major reasons for failure a drug in clinical trials. We have used molecular dynamics simulations predict permeability natural drugs - withanolides (withaferin-A and withanone) that similar structures but remarkably differ their cytotoxicity. found withaferin-A, not withanone, could proficiently transverse through model membrane. The free energy profiles obtained were accordance with physico-chemical properties...