Identification of promising small-molecule inhibitors targeting STK17B for cancer therapeutics: molecular docking and molecular dynamics investigations-Reference-Cited by-同舟云学术

Identification of promising small-molecule inhibitors targeting STK17B for cancer therapeutics: molecular docking and molecular dynamics investigations

Published:2023-12-26 Issue: Volume: Page:1-8
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Akinboade Modinat Wuraola¹,Egbemhenghe Abel Ujaigbe²,Abdulkareem Teslim Oluwaseyi³,Ibrahim Ismail Abiola⁴,Omotara Bamidele Samson⁵,Aderemi Olajide Enoch⁵,Egejuru Winner Amaka⁶,Ajala Chinedum Favour⁶,Meejay Kanu Ihunanya⁷,Oluwafemi Oluwatosin Oluwafunmilola⁶,Aderemi Christiana Oluwaseun⁶,Ddamulira Christopher⁸,Afuape Akinwumi Raphael⁹,Adekola Adedayo Toluwanimi⁶,Ojeyemi Toluwalase¹⁰,Otuomagie Osasenaga Israel¹¹

Affiliation:

1. Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Oyo State, Nigeria

2. Department of Chemistry and Biochemistry, Texas Technology University, Lubbock, TX, USA

3. Department of Biochemistry, Lagos State University, Lagos, Nigeria

4. Department of Physiology, Lagos State University, Lagos, Nigeria

5. Department of Chemistry and Chemical Engineering, University of New Haven, West Haven, CT, USA

6. Department of Public Health, University of New Haven, West Haven, CT, USA

7. Department of Epidemiology and Biotatistics, Jackson State University, Jackson, MS, USA

8. Department of Biomedical Engineering, University of New Haven, West Haven, CT, USA

9. Department of Biochemistry, University of Lagos, Lagos, Nigeria

10. Department of Environmental Toxicology, Texas Tech University, Lubbock, TX, USA

11. Department of Environmental Science, University of New Haven, West Haven, CT, USA

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2296605

Reference34 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors – An insight into the atomistic mechanisms of their antioxidant potential

3. Molecular modeling in drug discovery

4. Consensus scoring-based virtual screening and molecular dynamics simulation of some TNF-alpha inhibitors

5. Reinstating apoptosis using putative Bcl-xL natural product inhibitors: Molecular docking and ADMETox profiling investigations

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