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Molecular docking/dynamic simulations,MEP, ADME-TOX-based analysis of xanthone derivatives as CHK1 inhibitors |
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| Authors: | Belkadi Ahlem Kenouche Samir Melkemi Nadjib Daoud Ismail Djebaili Rachida |
| Institution: | 1.Group of Computational and Pharmaceutical Chemistry, LCME Laboratory, University of Mohamed Khider Biskra, 07000, Biskra, Algeria ;2.Group of Modeling of Chemical Systems Using Quantum Calculations, Applied Chemistry Laboratory, University of Mohamed Khider Biskra, 07000, Biskra, Algeria ;3.Laboratory of Natural and Bioactive Substances, LASNABIO, University of Abou-Bakr Belkaid Tlemcen, Tlemcen, Algeria ;4.Department of Matter Sciences, University of Mohamed Khider Biskra, BP 145 RP, 07000, Biskra, Algeria ; |
| Abstract: | Structural Chemistry - CHK1 is a promising molecular target that gained immense attention recently for the development of cancer therapeutics. In this study, a simulation-based investigation was... |
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