Rajat Kumar Jha
Research areas: Pharmacology, Toxicology and Pharmaceutics · Drug Discovery · Computational Drug Discovery Methods · SARS-CoV-2 and COVID-19 Research · Antibiotic Resistance in Bacteria
0000-0002-8557-4219
About
I'm a fourth-year Ph.D. candidate in Biochemistry at the University of Maryland, Baltimore County (UMBC), where I study how metal ions influence the function of key enzymes in cells. My primary research focuses on a eukaryotic enzyme called ATE1, which plays a vital role in protein regulation. I'm also investigating related enzymes in bacteria to gain a better understanding of their structure and evolution. I'm passionate about uncovering how molecular machines work—and how this knowledge can lead to broader insights in biology, health, and biotechnology.
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Publications (23)
- Structure and Mechanism of Aminoacyl-tRNA-Protein L/F- and R-transferases Save
- Identification and prioritization of promising lead molecules from Syzygium aromaticum against Sortase C from Streptococcus pyogenes: an in silico investigation Save
- Targeting multi-drug-resistant Acinetobacter baumannii: a structure-based approach to identify the promising lead candidates against glutamate racemase. Save
- Identification and prioritization of potential therapeutic molecules against LpxA from Acinetobacter baumannii – A computational study Save
- Introduction to Protein Therapeutics Save
- Identifying the natural compound Catechin from tropical mangrove plants as a potential lead candidate against 3CL pro from SARS-CoV-2: An integrated in silico approach Save
- Droperidol as a potential inhibitor of acyl-homoserine lactone synthase from A. baumannii: insights from virtual screening, MD simulations and MM/PBSA calculations Save
- A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2 Save
- An extensive computational study to identify potential inhibitors of Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE) Save
- Droperidol as a Potential Inhibitor of Acyl-homoserine Lactone Synthase from A. baumannii: Insights from Virtual Screening, MD Simulations and MM/PBSA Calculations Save
- Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study Save
- A Comprehensive In Silico Study Towards Understanding the Inhibitory Mechanism of Lactoperoxidase by Dapsone and Propofol Save
- Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase Save
- Computational Drug Repurposing for the Development of Drugs Against Coronaviruses Save
- Ligand-Based Approaches for the Development of Drugs Against SARS-CoV-2 Save
- A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods Save
- Prioritization of Mur family drug targets against A. baumannii and identification of their homologous proteins through molecular phylogeny, primary sequence, and structural analysis Save
- Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation Save
- Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis Save
- Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): A potential drug target in multi-drug resistant Acinetobacter baumannii Save