384
Views
8
CrossRef citations to date
0
Altmetric
Research Article

Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular dynamics simulation, and MM_GBSA binding free energy

, , , &
Pages 4667-4680 | Received 18 Jan 2022, Accepted 23 Apr 2022, Published online: 05 May 2022

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (5)

Abdellah El Aissouq, Mohammed Bouachrine, Lahcen Bouayyadi, Abdelkrim Ouammou & Fouad Khalil. (2023) Structure-based virtual screening of novel natural products as chalcone derivatives against SARS-CoV-2 Mpro. Journal of Biomolecular Structure and Dynamics 41:22, pages 13235-13249.
Read now
Said Bitam, Mabrouk Hamadache & Salah Hanini. (2023) 2D-QSAR, docking, molecular dynamics, studies of PF-07321332 analogues to identify alternative inhibitors against 3CLpro enzyme in SARS-CoV disease. Journal of Biomolecular Structure and Dynamics 41:14, pages 6991-7000.
Read now
Moulay Ahfid El Alaouy, Marwa Alaqarbeh, Mohamed Ouabane, Hanane Zaki, Mohamed ElBouhi, Hassan Badaoui, Youness Moukhliss, Abdelouahid Sbai, Hamid Maghat, Tahar Lakhlifi & Mohammed Bouachrine. (2023) Computational Prediction of 3,5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by 3D-QSAR, molecular docking, molecular dynamics simulation, and ADME-Tox. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
Read now
Reda El-Mernissi, Ayoub Khaldan, Soukaina Bouamrane, Hafiz Muzzammel Rehman, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi & Mohammed Bouachrine. (2023) 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
Read now

Articles from other publishers (3)

Sachin Puri, Iqrar Ahmad, Harun Patel, Kapil Kumar & Kapil Juvale. (2023) Evaluation of oxindole derivatives as a potential anticancer agent against breast carcinoma cells: In vitro, in silico, and molecular docking study. Toxicology in Vitro 86, pages 105517.
Crossref
Abdellah El Aissouq, Aissam Lachhab, Said El Rhabori, Mohammed Bouachrine, Abdelkrim Ouammou & Fouad Khalil. (2022) Computer-aided drug design applied to a series of pyridinyl imidazole derivatives targeting p38α MAP kinase: 2D-QSAR, docking, MD simulation, and ADMET investigations. New Journal of Chemistry 46:43, pages 20786-20800.
Crossref
Ayoub Khaldan, Soukaina Bouamrane, Reda El-mernissi, Marwa Alaqarbeh, Halima Hajji, Nada Alsakhen, Hamid Maghat, Mohammed Aziz Ajana, Abdelouahid Sbai, Mohammed Bouachrine & Tahar Lakhlifi. (2022) Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors. New Journal of Chemistry 46:36, pages 17554-17576.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.