A5081472038- Computational Drug Discovery Methods
- Cancer-related Molecular Pathways
- Cell death mechanisms and regulation
- Protein Structure and Dynamics
- Cancer, Lipids, and Metabolism
- Bioactive Compounds and Antitumor Agents
- Metal complexes synthesis and properties
- Tannin, Tannase and Anticancer Activities
- Heat shock proteins research
- Curcumin's Biomedical Applications
- DNA and Nucleic Acid Chemistry
- Biodiesel Production and Applications
- PI3K/AKT/mTOR signaling in cancer
- Dye analysis and toxicity
- Chromium effects and bioremediation
- Sympathectomy and Hyperhidrosis Treatments
- Advanced Breast Cancer Therapies
- Lipid metabolism and biosynthesis
- Lung Cancer Treatments and Mutations
- Innovative Energy Harvesting Technologies
- Metal Forming Simulation Techniques
- Protein Interaction Studies and Fluorescence Analysis
- Genomics, phytochemicals, and oxidative stress
- Ion Transport and Channel Regulation
- Medicinal Plants and Neuroprotection
Royal Glamorgan Hospital
2023
Indian Institute of Information Technology Allahabad
2022
Jawaharlal Nehru University
2016-2018
Indian Institute of Technology Indore
2012-2014
Banaras Hindu University
2004-2013
Institute of Medical Sciences
2012
GlaxoSmithKline (Netherlands)
2008
Bayer (Germany)
2005
National Botanical Research Institute
1985
p53, a tumor suppressor protein, has been proven to regulate the cell cycle, apoptosis, and DNA repair prevent malignant transformation. MDM2 regulates activity of p53 inhibits its binding DNA. In present study, we elucidated inhibition potential polyphenols (Apigenin, Fisetin, Galangin Luteolin) by MD simulation MM/PBSA free energy calculations. All bind hydrophobic groove was found be stable throughout simulation. Luteolin showed highest negative value -173.80 kJ/mol followed Fisetin with...
The aim of this study was to enrich and isolate bacteria from a tannery soil that were capable utilizing tannic acid gallic as sole source carbon aerobically, characterize their diversity in order identify efficient strains can be used for tannin bioremediation.Bacterial isolated after enrichment minimal medium with or source. Polymerase chain reaction (PCR) restricted fragment length polymorphism 16S rDNA [amplified ribosomal DNA restriction analysis (ARDRA)] BOX-PCR diversity. Two showing...
The apoptotic mechanism is regulated by the BCL-2 family of proteins, such as or Bcl-xL, which block apoptosis while Bad, Bak, Bax, Bid, Bim Hrk induce apoptosis. overexpression was found to be related progression cancer and also providing resistance towards chemotherapeutic treatments. In present study, we that all polyphenols (apigenin, fisetin, galangin luteolin) bind hydrophobic groove interaction stable throughout MD simulation run. Luteolin with highest negative binding energy thus,...
ABSTRACT Spinocerebellar degeneration, termed as ataxia is a neurological disorder of central nervous system, characterized by limb in‐coordination and progressive gait. The patient also demonstrates specific symptoms muscle weakness, slurring speech, decreased vibration senses. Expansion polyglutamine trinucleotide (CAG) within ATXN2 gene with 35 or more repeats, results in spinocerebellar type‐2. Protein ataxin‐2 coded has been reported to have crucial role translation the genetic...
Apoptosis (programmed cell death) is a process by which cells died after completing physiological function or severe genetic damage. mainly regulated the Bcl-2 family of proteins. Anti apoptotic protein prevents Bax activation/oligomerization to form heterodimer responsible for release cytochrome c from mitochondria cytosol in response death signal. Quercetin and taxifolin (natural polyphenols) efficiently bound hydrophobic groove altered structure inducing conformational changes. Taxifolin...
Abstract Adaptive resistance mechanisms compromise the long-term effectiveness of kinase-targeted agents dictating need for strategic combination approaches. MTX-531 was computationally designed to selectively target both PI3K and wild type EGFR. exhibits low nanomolar potency against isoform family EGFR with a high degree specificity predicted by co-crystal structural analyses. Full kinome screening confirmed that is exquisitely selective its intended targets. We evaluated pharmacological...
AbstractMLN4924 is an adenosine sulfamate analog that generates the inhibitory NEDD8-MLN4924 covalent complex. A single nucleotide transition changes alanine 171 to threonine (A171T) of NAE subunit UBA3 reduces enzyme's sensitivity for MLN4924. Our molecular dynamics simulation study revealed A171T brought remarkable conformational in enzyme structure (open ATP binding pocket), which reduced interaction between MLN4924 and pocket while wild form completely covered total difference −49.75...
HER-2 belongs to the human epidermal growth factor receptor (HER) family. Via different signal transduction pathways, regulates normal cell proliferation, survival, and differentiation. Recently, it was reported that MCF10A, BT474, MDA-MB-231 cells bearing HER2 K753E mutation were resistant lapatinib. Present study revealed mutant showed some contrasting behaviour as compared wild, L768S V773L in complex with lapatinib while similar previously known L755S mutant. Lapatinib stable but reverse...
Inhibition of the MDM2-p53 interaction has become a new therapeutic strategy to activate wild type p53 in tumors. Quercetin and taxifolin bind binding hydrophobic groove MDM2, alter conformation as evidenced by 65 ns molecular dynamics simulation. showed hydrogen bonding with Gly 16, Ser 17, Phe 55 Val 93 along π-π His96 π-σ 55. Taxifolin also similar interactions except Further, we found that ligands lead dissociation complex. These form stable MDM2 which led complete disruption from It was...
Fms‐like tyrosine kinase 3 ( FLT 3) belongs to the receptor family and expressed in hematopoietic progenitor cells. gene mutations are reported ~30% of acute myeloid leukemia cases. domain mutation F691L is one common causes acquired resistance inhibitors including quizartinib. MZH 29 crenolanib were previously inhibit F691L. However, was for moderate inhibition. We found that Glu661and Asp829 most significant residues target which contribute significantly binding energy with crenolanib....
Introduction: Cerebral ischemia arise due to insufficient/ interrupted blood supply brain and is accompanied by pathologies like degradation of extracellular matrix resulting in barrier disruption, intra cranial haemorrhage, activation astroglial cells hence death neurons. In addition, oxidative stress inflammation common all neurodegenerative diseases enhancing the harmful consequences diseases. Matrix Metalloproteinases (MMP) are normally involved remodelling regulated while injury tissue....
Evaluation of certain flavonoids medicinal importance in the wild and micropropagated plants endangered species, Exacum bicolor Roxb.Meethaley Valappil Jeeshna, Subramaniam Paulsamy