Publications by authors named "Leena Chauhan"
Article Synopsis
- The study focuses on finding new drug candidates to combat tuberculosis, a leading global cause of death, by targeting the IGPD enzyme involved in histidine biosynthesis.
- Researchers screened 6063 diverse plant secondary metabolites (PSM) to identify effective inhibitors, highlighting 150 with favorable binding energies from various chemical classes.
- Three specific PSMs, Bismahanine, Ashwagandhanolide, and Daurisoline, showed promising results as IGPD inhibitors, forming stable complexes and demonstrating strong interactions with key amino acid residues in the enzyme's active site.
Plants are endowed with a large pool of structurally diverse small molecules known as secondary metabolites. The present study aims to virtually screen these plant secondary metabolites (PSM) for their possible anti-SARS-CoV-2 properties targeting four proteins/ enzymes which govern viral pathogenesis. Results of molecular docking with 4,704 ligands against four target proteins, and data analysis revealed a unique pattern of structurally similar PSM interacting with the target proteins.
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