Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation

Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation

Introduction: The son of sevenless (SOS) proteins are rat sarcoma virus nucleotide exchange factors that act as regulatory switches of the rat sarcoma virus (RAS) system through the conversion of the inactive guanosine diphosphate (GDP) bound RAS to the GTP-bound active form, thereby modulating nume...

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Bibliographic Details
Main Authors: Abdulrahim A. Alzain, Mohammed A. Almogaddam, Alaa A. Makki, Alaa Edris, Hagar M. Mohamed, Sitelbanat Y. Ehaimir, Shaimaa G. A. Mohamed, Sarah Ameen Taher Felemban, Wedad Hamad Hammad Alshammari, Gamal A. Mohamed, Sabrin R. M. Ibrahim
Format: Article
Language:English
Published: Wolters Kluwer Medknow Publications 2025-06-01
Series:Journal of Pharmacy and Bioallied Sciences
Subjects:
cancer
drug discovery
health and wellbeing
molecular docking
molecular dynamics
sos2
Online Access:https://journals.lww.com/10.4103/jpbs.jpbs_534_25
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