Computational investigation of potential natural compounds as inhibitors of monkeypox virus cysteine proteinase

IntroductionMonkeypox is a serious viral illness that is rarely seen but is spread from person to person and from animals to humans. Cysteine proteinase, an essential enzyme involved in the replication of the monkeypox virus (MPXV), is one of many possible therapeutic targets for MPXV. The primary f...

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Bibliographic Details

Published in:	Frontiers in Bioinformatics
Main Authors:	Riya Nalwa, Anis Ahmad Chaudhary, Mandeep Chouhan, Prashant Kumar Tiwari, Saurabh Gupta, Hassan Ahmed Rudayni, Vivek Dhar Dwivedi, Sanjay Kumar
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2025-07-01
Subjects:	Monkeypox virus cysteine proteinase structure-based virtual screening phytochemicals molecular dynamics simulation
Online Access:	https://www.frontiersin.org/articles/10.3389/fbinf.2025.1637207/full