Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations-Reference-Cited by-同舟云学术

Identification of NEK7 inhibitors: structure based virtual screening, molecular docking, density functional theory calculations and molecular dynamics simulations

Published:2022-08-18 Issue: Volume: Page:1-15
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Aziz Mubashir¹,Ejaz Syeda Abida¹,Rehman Hafiz Muzzammel²³,Alsubaie A. SA.⁴,Mahmoud K. H.⁴,Siddique Farhan⁵⁶^ORCID,Al-Buriahi M. S.⁷,Alrowaili Z. A.⁸

Affiliation:

1. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Pakistan

2. School of Biochemistry and Biotechnology, University of the Punjab, Lahore, Punjab, Pakistan

3. Alnoorians Group of Institutes, Lahore, Pakistan

4. Department of Physics, College of Khurma University College, Taif University, Taif, Saudi Arabia

5. Department of Pharmacy, Royal Institute of Medical Sciences (RIMS), Multan, Pakistan

6. Department of Science and Technology, Laboratory of Organic Electronics, Linköping University, Norrköping, Sweden

7. Department of Physics, Sakarya University, Sakarya, Turkey

8. Department of Physics, College of Science, Jouf University, Sakaka, Saudi Arabia

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2113563

Reference71 articles.

1. Potential Inhibitors Against Papain-like Protease of Novel Coronavirus (COVID-19) from FDA Approved Drugs

2. NSAIDs as potential treatment option for preventing amyloid β toxicity in Alzheimer’s disease: an investigation by docking, molecular dynamics, and DFT studies

3. Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach

4. Deep Learning and Structure-Based Virtual Screening for Drug Discovery against NEK7: A Novel Target for the Treatment of Cancer

5. A Quantum Chemical View of Density Functional Theory

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