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Al-Nema, Mayasah and Gaurav, Anand and Lee, Vannajan Sanghiran (2023) Designing of 2,3-dihydrobenzofuran derivatives as inhibitors of PDE1B using pharmacophore screening, ensemble docking and molecular dynamics approach. Computers in Biology and Medicine, 159. ISSN 0010-4825, DOI https://doi.org/10.1016/j.compbiomed.2023.106869.
Gautam, Vertika and Gaurav, Anand and Masand, Neeraj and Lee, Vannajan Sanghiran and Patil, Vaishali M. (2023) Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system. Molecular Diversity, 27 (2). pp. 959-985. ISSN 1381-1991, DOI https://doi.org/10.1007/s11030-022-10489-3.
Al-Nema, Mayasah and Gaurav, Anand and Lee, Ming Tatt and Okechukwu, Patrick and Nimmanpipug, Piyarat and Lee, Vannajan Sanghiran (2022) Evaluation of the acute oral toxicity and antipsychotic activity of a dual inhibitor of PDE1B and PDE10A in rat model of schizophrenia. PLoS ONE, 17 (12). ISSN 1932-6203, DOI https://doi.org/10.1371/journal.pone.0278216.
Al-Nema, Mayasah and Gaurav, Anand and Lee, Vannajan Sanghiran and Gunasekaran, Baskaran and Lee, Ming Tatt and Okechukwu, Patrick and Nimmanpipug, Piyarat (2022) Structure-based discovery and bio-evaluation of a cyclopenta[4,5]thieno[2,3-: D] pyrimidin-4-one as a phosphodiesterase 10A inhibitor. RSC Advances, 12 (3). pp. 1576-1591. ISSN 2046-2069, DOI https://doi.org/10.1039/d1ra07649c.
Al-Nema, Mayasah and Gaurav, Anand and Lee, Vannajan Sanghiran and Gunasekaran, Baskaran and Lee, Ming Tatt and Okechukwu, Patrick (2021) Identification of dual inhibitor of phosphodiesterase 1B/10A using structure-based drug design approach. Journal of Molecular Liquids, 342. ISSN 0167-7322, DOI https://doi.org/10.1016/j.molliq.2021.117485.
Al-Nema, Mayasah and Gaurav, Anand and Lee, Vannajan Sanghiran (2020) Docking based screening and molecular dynamics simulations to identify potential selective PDE4B inhibitor. Heliyon, 6 (9). ISSN 2405-8440, DOI https://doi.org/10.1016/j.heliyon.2020.e04856.
Kara, Jiraporn and Suwanhom, Paptawan and Wattanapiromsakul, Chatchai and Nualnoi, Teerapat and Puripattanavong, Jindaporn and Khongkow, Pasarat and Lee, Vannajan Sanghiran and Gaurav, Anand and Lomlim, Luelak (2019) Synthesis of 2‐(2‐oxo‐2 H ‐chromen‐4‐yl)acetamides as potent acetylcholinesterase inhibitors and molecular insights into binding interactions. Archiv der Pharmazie / Chemistry in Life Sciences, 352 (7). p. 1800310. ISSN 0365-6233, DOI https://doi.org/10.1002/ardp.201800310.
