Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and <i>in</i> - <i>vitro</i> evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor-Reference-Cited by-同舟云学术

Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in - vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor

Published:2024-02-22 Issue: Volume: Page:1-31
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Jawarkar Rahul D.¹,Zaki Magdi E. A.²,Al-Hussain Sami A.²,Al-Mutairi Aamal A.²,Samad Abdul³,Masand Vijay⁴,Humane Vivek⁵,Mali Suraj⁶^ORCID,Alzahrani Abdullah Yahya Abdullah⁷,Rashid Summya⁸,Elossaily Gehan M.⁹

Affiliation:

1. Department of Medicinal Chemistry and Drug discovery, Dr. Rajendra Gode Institute of Pharmacy, Amravati, Maharashtra, India

2. Department of Chemistry, Faculty of Science, Imam Mohammad Ibn Saud Islamic University, Riyadh, Saudi Arabia

3. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tishk International University, Erbil, Kurdistan Region, Iraq

4. Department of Chemistry, Amravati, Maharashtra, India

5. Department of Chemistry, Shri R. R. Lahoti Science college, Morshi District: Amravati, Maharashtra, India

6. School of Pharmacy, D.Y. Patil University (Deemed to be University), Nerul, Navi Mumbai, India

7. Department of Chemistry, Faculty of Science and Arts, King Khalid University, Mohail Assir, Saudi Arabia

8. Department of Pharmacology & Toxicology, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia

9. Department of Basic Medical Sciences, College of Medicine, AlMaarefa University, Riyadh, Saudi Arabia

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2024.2319104

Reference107 articles.

1. 3D-QSAR (CoMFA, CoMSIA) and Molecular Docking Studies on Histone Deacetylase 1 Selective Inhibitors

2. Analysis and prediction pathways of natural products and their cytotoxicity against HeLa cell line protein using docking, molecular dynamics and ADMET

3. New Nomenclature for Chromatin-Modifying Enzymes

4. Assessment of the Evolution of Cancer Treatment Therapies

5. Loss of chromosome Y leads to down regulation of KDM5D and KDM6C epigenetic modifiers in clear cell renal cell carcinoma

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