In silico discovery of RIOK3 inhibitors against pancreatic ductal adenocarcinoma using homology modelling, molecular docking, molecular dynamics simulations, ADMET prediction, and MTT assay

Journal of Computer-Aided Molecular Design 2026 Open access

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Authors: Kawthar Alhussieni, Rozana Othman, Tamilanban Thamaraikani, Ke Han Tan, Malek A. Zihlif, Natasha Sura Anak Lubau, Loay Abujubbeh, Mohammad Alhussieni, Vetriselvan Subramaniyan
DOI: 10.1007/s10822-026-00906-2
Cited by: 0
References: 16

Fields of Study & Subjects

Computational Drug Discovery Methods Pancreatic and Hepatic Oncology Research Synthesis and Characterization of Heterocyclic Compounds

Publication details

Journal / source
Journal of Computer-Aided Molecular Design
Volume
40
Issue
1
Publication date
26 August 2026
Language
EN