Identification and validation of natural product-based KRASG12D inhibitors through structure-based virtual screening, molecular dynamics simulation, and in vitro studies.

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Bibliographic Details
Title: Identification and validation of natural product-based KRASG12D inhibitors through structure-based virtual screening, molecular dynamics simulation, and in vitro studies.
Authors: Pandey D; Department of Pharmaceutical Sciences, School of Health Sciences and Technology, UPES, Dehradun, UK, 248007, India.; School of Pharmacy, Graphic Era Hill University, 248002, Dehradun, India., Dwivedi S; Department of Pharmaceutical Sciences, School of Health Sciences and Technology, UPES, Dehradun, UK, 248007, India., Roy KK; Department of Pharmaceutical Sciences, School of Health Sciences and Technology, UPES, Dehradun, UK, 248007, India. kuldeepkroy@gmail.com.
Source: Molecular diversity [Mol Divers] 2026 Apr 26. Date of Electronic Publication: 2026 Apr 26.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
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