Repurposing clinically approved drugs as Wee1 checkpoint kinase inhibitors: an <i>in silico</i> investigation integrating molecular docking, ensemble QSAR modelling and molecular dynamics simulation-Reference-Cited by-同舟云学术

Repurposing clinically approved drugs as Wee1 checkpoint kinase inhibitors: an in silico investigation integrating molecular docking, ensemble QSAR modelling and molecular dynamics simulation

Published:2022-07-21 Issue:16 Volume:48 Page:1490-1512
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Olawale Femi¹^ORCID,Ogunyemi Oludare²,Folorunso Ibukun Mary³

Affiliation:

1. Nano-Gene and Drug Delivery Group, Department of Biochemistry, School of life science, University of KwaZulu Natal, Durban, South Africa

2. Human Nutraceuticals and Bioinformatics Research Unit, Department of Biochemistry, Salem University, Lokoja, Nigeria

3. Bioinformatics and Molecular Biology Unit, Department of Biochemistry, Federal University of Technology Akure, Akure, Nigeria

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2022.2101673

Reference47 articles.

1. A Multi-target Approach for the Discovery of Anti Breast Cancer Agents from Plants Secondary Metabolites

2. Wee1 kinase as a target for cancer therapy

3. Structure and Inhibition of the Human Cell Cycle Checkpoint Kinase, Wee1A Kinase

4. Activation of ATR-related protein kinase upon DNA damage recognition

5. Structure-activity relationships of Wee1 inhibitors: A review

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