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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| Title: | 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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| 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 |
| ISSN: | 1573-501X |
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| DOI: | 10.1007/s11030-026-11554-x |
