Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach-Reference-Cited by-同舟云学术

Identifying Isoononin and Candidissiol as Rho-associated protein kinase 1 (ROCK1) inhibitors: a combined virtual screening and MD simulation approach

Published:2022-08-13 Issue: Volume: Page:1-10
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Alotaibi Bader Saud¹,Joshi Jatin²,Hasan Mohammad Raghibul¹,Khan Mohd Shahnawaz³,Alharethi Salem Hussain⁴,Mohammad Taj⁵^ORCID,Alhumaydhi Fahad A.⁶^ORCID,Elasbali Abdelbaset Mohamed⁷,Hassan Md. Imtaiyaz⁶^ORCID

Affiliation:

1. Department of Medical Laboratory Science, College of Applied Medical Sciences, Shaqra University, Riyadh, Saudi Arabia

2. Department of Computer Science, Jamia Millia Islamia, New Delhi, India

3. Department of Biochemistry, College of Sciences, King Saud University, Riyadh, Saudi Arabia

4. Department of Biological Science, College of Arts and Science, Najran University, Najran, Saudia Arabia

5. Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India

6. Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, Saudi Arabia

7. Department of Clinical Laboratory Science, College of Applied Sciences-Qurayyat, Jouf University, Sakaka, Saudi Arabia

Funder

King Saud University

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2111362

Reference42 articles.

1. Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using Virtual High-Throughput Screening and Molecular Dynamics Studies

2. Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis

3. Virtual high-throughput screening of natural compounds in-search of potential inhibitors for protection of telomeres 1 (POT1)

4. Discovery of Natural Compounds as Potential Inhibitors of Human Carbonic Anhydrase II: An Integrated Virtual Screening, Docking, and Molecular Dynamics Simulation Study

5. Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

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