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Integrated computational-experimental pipeline for CHK1 inhibitor discovery: structure-based identification of novel chemotypes with anticancer activity.

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Title: Integrated computational-experimental pipeline for CHK1 inhibitor discovery: structure-based identification of novel chemotypes with anticancer activity.
Authors: Gopal D; Department of Pharmacology, Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (Deemed to be University), Chennai, India., Pacharla M; Department of Pharmacology, Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (Deemed to be University), Chennai, India., Kumar NA; Department of Pharmacology, Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (Deemed to be University), Chennai, India., Kumar P; Department of Pharmacology, Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (Deemed to be University), Chennai, India., Sathiyanathan AP; Department of Pharmacology, Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (Deemed to be University), Chennai, India., Chandrasekaran J; Department of Pharmacology, Sri Ramachandra Faculty of Pharmacy, Sri Ramachandra Institute of Higher Education and Research (Deemed to be University), Chennai, India. jaikanthjai@gmail.com., Agrawal M; Department of Pharmacology, School of Medical and Allied Sciences, K.R. Mangalam University, Gurugram, Haryana, India.
Source: Naunyn-Schmiedeberg's archives of pharmacology [Naunyn Schmiedebergs Arch Pharmacol] 2026 Feb; Vol. 399 (3), pp. 4383-4399. Date of Electronic Publication: 2025 Oct 20.
Publication Type: Journal Article
Journal Info: Publisher: Springer Verlag Country of Publication: Germany NLM ID: 0326264 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-1912 (Electronic) Linking ISSN: 00281298 NLM ISO Abbreviation: Naunyn Schmiedebergs Arch Pharmacol Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1432-1912
DOI:10.1007/s00210-025-04738-z