Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study-Reference-Cited by-同舟云学术

Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study

Published:2024-02-02 Issue: Volume: Page:1-18
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Abchir Oussama¹,Yamari Imane¹,Shtaiwi Amneh Mohammad²,Nour Hassan¹,Kouali Mhammed El¹,Talbi Mohammed¹,Errougui Abdelkbir¹,Chtita Samir¹^ORCID

Affiliation:

1. Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, Morocco

2. Faculty of Pharmacy, Middle East University, Amman, Jordan

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2024.2310778

Reference60 articles.

1. Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships

2. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

3. Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies

4. Exploration of Cannabis constituents as potential candidates against diabetes mellitus disease using molecular docking, dynamics simulations and ADMET investigations

5. Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Mechanism and stereoselectivity of epoxidation reaction of a β-himachalene derivative: Insights from DFT, molecular docking, ADMET, and molecular dynamics investigations;Journal of Molecular Structure;2025-01

2. Advancements in Computational Approaches for Antidiabetic Drug Discovery: A Review;Current Topics in Medicinal Chemistry;2024-08-19