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Computers in Biology and Medicine|April 18, 2023
Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approachMayasah Al-Nema, Anand Gaurav, Vannajan Sanghiran Lee
Computational Biology and Chemistry|September 22, 2018
Discovery of natural product inhibitors of phosphodiesterase 10A as novel therapeutic drug for schizophrenia using a multistep virtual screeningMayasah Al-Nema, Anand Gaurav, Gabriel Akowuah
Heliyon|September 28, 2020
Docking based screening and molecular dynamics simulations to identify potential selective PDE4B inhibitorMayasah Al-Nema, Anand Gaurav, Vannajan Sanghiran Lee
Current Topics in Medicinal Chemistry|October 24, 2022
Computational Approaches in the Discovery and Development of Therapeutic and Prophylactic Agents for Viral DiseasesAnand Gaurav, Neetu Agrawal, Mayasah Al-Nema, et al.
Heliyon|October 11, 2024
Structural insight into the lead identification of a dual inhibitor of PDE1B and PDE10A: Integrating pharmacophore-based virtual screening, molecular docking, and structure-activity-relationship approachesChing Wen Soon, Anand Gaurav, Vertika Gautam, et al.
RSC Medicinal Chemistry|May 25, 2026
Computational approaches for flavivirus drug discovery: targeting structural and non-structural proteinsMayasah Al-Nema, Mariana Manzano Rendeiro, Daniella Liao, et al.
Plos One|December 1, 2022
Evaluation of the acute oral toxicity and antipsychotic activity of a dual inhibitor of PDE1B and PDE10A in rat model of schizophreniaMayasah Al-Nema, Anand Gaurav, Ming Tatt Lee, et al.
RSC Advances|April 15, 2022
Structure-based discovery and bio-evaluation of a cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one as a phosphodiesterase 10A inhibitorMayasah Al-Nema, Anand Gaurav, Vannajan Sanghiran Lee, et al.
ACS Omega|August 29, 2019
Molecular Modeling-Based Delivery System Enhances Everolimus-Induced Apoptosis in Caco-2 CellsMarwan Abdelmahmoud Abdelkarim Maki, Palanirajan Vijayaraj Kumar, Shiau-Chuen Cheah, et al.
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