Virtual screening, molecular docking simulation and ADMET prediction of some selected natural products as potential inhibitors of NLRP3 inflammasomes as drug candidates for Alzheimer disease-Reference-Cited by-同舟云学术

Virtual screening, molecular docking simulation and ADMET prediction of some selected natural products as potential inhibitors of NLRP3 inflammasomes as drug candidates for Alzheimer disease

Published:2023-03 Issue: Volume:48 Page:102615
ISSN:1878-8181
Container-title:Biocatalysis and Agricultural Biotechnology
language:en
Short-container-title:Biocatalysis and Agricultural Biotechnology

Author:

Ajala Abduljelil^ORCID,Uzairu Adamu,Shallangwa Gideon A.,Abechi Stephen E.

Publisher

Elsevier BV

Subject

Agronomy and Crop Science,Applied Microbiology and Biotechnology,Bioengineering,Food Science,Biotechnology

Reference36 articles.

1. TLR4-targeting therapeutics: structural basis and computer-aided drug discovery approaches;Ain;Molecules,2020

2. Optimizing the use of hydroxychloroquine in the management of COVID-19 given its pharmacological profile;Ali;J Pharmaceut Res Int,2020

3. DockRMSD: an open-source tool for atom mapping and RMSD calculation of symmetric molecules through graph isomorphism;Bell;J. Cheminf.,2019

4. Role of mitochondrial dysfunction, oxidative stress and autophagy in progression of Alzheimer's disease;Bhatia;J. Neurol. Sci.,2021

5. Direct Keap1-kelch inhibitors as potential drug candidates for oxidative stress-orchestrated diseases: a review on in silico perspective;Boyenle;Pharmacol. Res.,2021

Cited by 7 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. Identification of novel NLRP3 inhibitors as therapeutic options for epilepsy by machine learning-based virtual screening, molecular docking and biomolecular simulation studies;Heliyon;2024-08

2. Design of New Aromatic Tertiary Amine-based as Butyrylcholinesterase Inhibitors Relying on Molecular Docking, ADME-Tox and Molecular Dynamics;Current Computer-Aided Drug Design;2024-07-29

3. Virtual screening and pharmacokinetics analysis of inhibitors against tuberculosis: Structure and ligand-based approach;Scientific African;2024-03

4. Discovery of Potential Rosin-Based Triazole Antifungal Candidates to Control Valsa mali for Sustainable Crop Protection;Journal of Agricultural and Food Chemistry;2024-02-26

5. Integrating artificial intelligence into the modernization of traditional Chinese medicine industry: a review;Frontiers in Pharmacology;2024-02-23