Computer-aided drug design of some KRAS G12C inhibitors: Targeting the covalent and allosteric binding site for cancer therapy

Computer-aided drug design of some KRAS G12C inhibitors: Targeting the covalent and allosteric binding site for cancer therapy

KRAS is one of the most investigated anticancer targets today, owing to its common mutations in a variety of lethal malignancies. KRAS G12C has been the focus of cancer research since the identification of the druggable allosteric binding site located in close vicinity with G12C mutation. Herein, we...

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Bibliographic Details
Main Authors: Abdeen Tunde Ogunlana, Abdul-Quddus Kehinde Oyedele, Ibrahim Damilare Boyenle, Sukurat Oluwatoyin Ayoola, Abosede Christiana Ajibare, Ayodeji Oluwadamilare Adeyemi, Lukmon Akanni Jinadu, Oluwafemi Timothy Adenrele, Abdullahi Opeyemi Alausa, Temitope Isaac Adelusi
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Informatics in Medicine Unlocked
Subjects:
KRAS G12C covalent inhibitors
Computer-aided drug design
Covalent docking
Molecular dynamics
Cancer therapy
Online Access:http://www.sciencedirect.com/science/article/pii/S2352914822001745

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http://www.sciencedirect.com/science/article/pii/S2352914822001745

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