Exploiting butyrylcholinesterase inhibitors through a combined 3-D pharmacophore modeling, QSAR, molecular docking, and molecular dynamics investigation-Reference-Cited by-同舟云学术

Exploiting butyrylcholinesterase inhibitors through a combined 3-D pharmacophore modeling, QSAR, molecular docking, and molecular dynamics investigation

Published:2023 Issue:14 Volume:13 Page:9513-9529
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kumar Sunil¹,Manoharan Amritha¹,J Jayalakshmi¹,Abdelgawad Mohamed A.²³,Mahdi Wael A.⁴,Alshehri Sultan⁴^ORCID,Ghoneim Mohammed M.⁵⁶,Pappachen Leena K.¹,Zachariah Subin Mary¹,Aneesh T. P.¹,Mathew Bijo¹^ORCID

Affiliation:

1. Department of Pharmaceutical Chemistry, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, AIMS Health Sciences Campus, Kochi, 682 041, India

2. Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, 72341, Saudi Arabia

3. Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Suef, Egypt

4. Department of Pharmaceutics, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia

5. Department of Pharmacy Practice, College of Pharmacy, AlMaarefa University, Ad Diriyah, 13713, Saudi Arabia

6. Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy, Al-Azhar University, Cairo, 11884, Egypt

Abstract

Alzheimer's disease (AD), a neurodegenerative condition associated with ageing, can occur.

Funder

King Saud University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA00526G

Reference59 articles.

1. Alzheimer's disease

2. Pathophysiology of Alzheimer's Disease

3. Acetylcholinesterase, butyrylcholinesterase, and tyrosinase inhibition studies and antioxidant activities of 33 Scutellaria L. taxa from Turkey

4. Receptor-Based Modeling and 3D-QSAR for a Quantitative Production of the Butyrylcholinesterase Inhibitors Based on Genetic Algorithm

5. Evaluation of Novel Dual Acetyl- and Butyrylcholinesterase Inhibitors as Potential Anti-Alzheimer’s Disease Agents Using Pharmacophore, 3D-QSAR, and Molecular Docking Approaches

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