3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents-Reference-Cited by-同舟云学术

3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents

Published:2022-03-23 Issue:4 Volume:33 Page:1063-1084
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Daoui Ossama,Mazoir Noureddine,Bakhouch Mohamed,Salah Mohammed,Benharref Ahmed,Gonzalez-Coloma Azucena,Elkhattabi Souad,Yazidi Mohamed El,Chtita Samir^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

https://link.springer.com/content/pdf/10.1007/s11224-022-01912-4.pdf

Reference58 articles.

1. Ya’u Ibrahim Z, Uzairu A, Shallangwa G, Abechi S (2020) Molecular docking studies, drug-likeness and in-silico ADMET prediction of some novel β-amino alcohol grafted 1,4,5-trisubstituted 1,2,3-triazoles derivatives as elevators of P53 protein levels. Sci Afr 10:e00570

2. Fouedjou RT, Chtita S, Bakhouch M, Belaidi S, Ouassaf M, Djoumbissie LA, Tapondjou LA, Qais FA (2021) Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors. J Biomol Struct Dyn 1–15. https://doi.org/10.1080/07391102.2021.1914170

3. Belhassan A, Zaki H, Chtita S, Alaqarbeh M, Alsakhen N, Benlyas M, Lakhlifi T, Bouachrine M (2021) Camphor, artemisinin and sumac phytochemicals as inhibitors against COVID-19: computational approach. Comput Biol Med 136:104758

4. Ouassaf M, Belaidi S, Chtita S, Aouidate A, Lanez T, Abul Qais F (2021) Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease. J Biomol Struct Dyn. https://doi.org/10.1080/07391102.2021.1957712

5. Chtita S, Belhassan A, Bakhouch M, Taourati AI, Aouidate A, Belaidi S, Moutaabbid M, Belaaouad S, Bouachrine M, Lakhlifi T (2021) QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods. Chemom Intell Lab Syst 210(15):104266

Cited by 30 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. Molecular docking, QSAR, and simulation analyses of EGFR-targeting phytochemicals in non-small cell lung cancer;Journal of Molecular Structure;2025-02

2. Integrating Computational 3D-QSAR and Pharmacophore Modelling in Diverse Natural Phytochemicals Library for Targeted Therapy against Breast Cancer Estrogen Receptors;Next Research;2024-09

3. Unveiling promising phytocompounds from Moringa oleifera as dual inhibitors of EGFR(T790M/C797S) and VEGFR-2 in non-small cell lung cancer through in silico screening, ADMET, dynamics simulation, and DFT analysis;Journal of Genetic Engineering and Biotechnology;2024-09

4. Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents;Chemical Physics Impact;2024-06

5. Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors;Scientific Reports;2024-05-21