A5025291100- Computational Drug Discovery Methods
- Research on Leishmaniasis Studies
- Heat shock proteins research
- Malaria Research and Control
- Trypanosoma species research and implications
- Drug Transport and Resistance Mechanisms
- HIV/AIDS drug development and treatment
- Calcium signaling and nucleotide metabolism
- Andrographolide Research and Applications
- Force Microscopy Techniques and Applications
- Plant Genetic and Mutation Studies
- Toxin Mechanisms and Immunotoxins
- Fungal and yeast genetics research
- Bone Metabolism and Diseases
- Cell death mechanisms and regulation
- Cholinesterase and Neurodegenerative Diseases
- Alcoholism and Thiamine Deficiency
- Enzyme Structure and Function
- Mesenchymal stem cell research
- Vitamin K Research Studies
- Biochemical and Structural Characterization
- DNA Repair Mechanisms
- Protease and Inhibitor Mechanisms
- Microbial Metabolic Engineering and Bioproduction
- Antimicrobial Peptides and Activities
International Centre for Genetic Engineering and Biotechnology
2024
Central Drug Research Institute
2015-2024
Sir Ganga Ram Hospital
2021
Naturally occurring cationic antimicrobial peptides (AMPs) mostly adopt α-helical structures in bacterial membrane mimetic environments. To explore the design of novel β-sheet AMPs, we identified two short amphipathic β-strand segments from crystal structure innate immune protein, MyD88. Interestingly, these, 10-residue arginine-valine-rich synthetic MyD88-segment, KRCRRMVVVV (M3), exhibited when bound to outer Gram-negative component, LPS. Isothermal titration calorimetric data showed that...
Abstract Enoyl‐acyl carrier protein reductase (InhA) of type II fatty acid synthase system is involved in the synthesis mycolic acids which a major component bacterial cell wall. Since they are key enzymes playing very significant role FASII pathway bacterium. In this study, we have developed workflow for identification InhA inhibitors by utilizing silico virtual screening approaches based on various machine learning algorithms followed pharmacophore screening. The hits screened from models...
Trypanothione reductase of Leishmania donovani is a flavin adenine dinucleotide containing homodimeric protein essential for parasite survival. The flavoenzyme utilizes nicotinamide phosphate in the reaction to convert oxidized trypanothione reduced which further used up by tryparedoxin/tryparedoxin peroxidase system neutralize reactive oxygen species generated macrophages. Some drugs previously reported against disease include sodium stibogluconate, miltefosine and amphotericin B. However,...
Chaperonins are a class of molecular chaperons that encapsulate nascent or stress-denatured proteins and assist their intracellular assembly folding in an ATP-dependent manner. The ubiquitous eukaryotic chaperonin, TCP1 ring complex is hetero-oligomeric comprising two rings, each formed eight subunits may have distinct substrate recognition ATP hydrolysis properties. In Leishmania, only the TCP1γ subunit has been cloned characterized. It exhibited differential expression at various growth...
Abstract Lysosome has been long understood as a vital digestive organelle. Increasing reports indicate that the lysosome also plays crucial role in pathogenesis of variety neurodegenerative diseases, including Huntington's disease, Alzheimer's Parkinson's disease and amyotrophic lateral sclerosis. Abnormal protein degradation deposition stimulated by lysosomal dysfunction may cause age‐related neurodegeneration. Enormous efforts have devoted to development effective therapeutics against most...
Poly (ADP-ribose) polymerase-1 (PARP1) inhibition strategy for cancer treatment is gaining advantage particularly in patients having a mutation BRCA1/BRCA2 gene. To date, four drugs have obtained FDA approval and some inhibitors are clinical trials. identify more potent PARP1 extensive research going on to enrich the library of with compounds belonging different classes. We employed an integrated virtual screening approach potential inhibitors. The sequential support vector machine (SVM)...
The malaria parasite carries two organelles, the apicoplast and mitochondrion, whose DNA genomes must be maintained for optimal function survival under genotoxic stress. repair mechanism(s) operative within these organelles were explored by mining Plasmodium falciparum nuclear genome sequences encoding proteins of major pathways with predicted targeting to either organelle. Of panel enzymes identified base excision (BER), we characterized apurinic/apyrimidinic (AP) endonuclease PfApn1-an...
T-complex protein-1 (TCP1) is a ubiquitous group II chaperonin and known to fold various proteins, such as actin tubulin. In Leishmania donovani, the γ subunit of TCP1 (LdTCP1γ) has been cloned characterized. It forms high-molecular-weight homo-oligomeric complex that performs ATP-dependent protein folding. present study, we evaluated essentiality LdTCP1γ gene. Gene replacement studies indicated essential for parasite survival. The single-allele-replacement mutants exhibited slowed growth...
Acetyl Coenzyme A Carboxylase (AccD6) is a homodimeric protein which involved in the carboxylation of acetyl coenzyme to produce malonyl A, plays an important role biosynthesis fatty acid chain. However, studies suggest that AccD6 combination with AccA3 produces co-A. Certain herbicides are known inhibit plant ACC. Among these herbicides, haloxyfop was found at IC50 21.1 ± 1 µM. In this study, we have performed molecular docking Maybridge database consisting ~55,000 compounds active site as...
Abstract Epileptic seizures are a frequent feature of thiamine transporter deficiency that may present as clinical continuum between severe epileptic encephalopathy and mixed focal or generalized seizures. Thiamine metabolism dysfunction syndrome 2 (MIM: 607483) biotin-thiamine-responsive basal ganglia disease (BTBGD) due to biallelic pathogenic mutation in the SLC19A3 gene is well-recognized cause early infantile with Leigh syndrome-like presentation lesser-known phenotype atypical spasms....