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Identifying structural-functional analogue of GRL0617, the only well-established inhibitor for papain-like protease (PLpro) of SARS-CoV2 from the pool of fungal metabolites using docking and molecular dynamics simulation.
Rao P, Patel R, Shukla A, Parmar P, Rawal RM, Saraf M, Goswami D. Rao P, et al. Among authors: goswami d. Mol Divers. 2022 Feb;26(1):309-329. doi: 10.1007/s11030-021-10220-8. Epub 2021 Apr 6. Mol Divers. 2022. PMID: 33825097 Free PMC article.
Meticulous assessment of natural compounds from NPASS database for identifying analogue of GRL0617, the only known inhibitor for SARS-CoV2 papain-like protease (PLpro) using rigorous computational workflow.
Parmar P, Rao P, Sharma A, Shukla A, Rawal RM, Saraf M, Patel BV, Goswami D. Parmar P, et al. Among authors: goswami d. Mol Divers. 2022 Feb;26(1):389-407. doi: 10.1007/s11030-021-10233-3. Epub 2021 May 18. Mol Divers. 2022. PMID: 34008129 Free PMC article.
589 results