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AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors.
Gkekas I, Katsamakas S, Mylonas S, Fotopoulou T, Magoulas GΕ, Tenchiu AC, Dimitriou M, Axenopoulos A, Rossopoulou N, Kostova S, Wanker EE, Katsila T, Papahatjis D, Gorgoulis VG, Koufaki M, Karakasiliotis I, Calogeropoulou T, Daras P, Petrakis S. Gkekas I, et al. Among authors: papahatjis d. J Chem Inf Model. 2024 Nov 25;64(22):8562-8585. doi: 10.1021/acs.jcim.4c01110. Epub 2024 Nov 13. J Chem Inf Model. 2024. PMID: 39535926 Free PMC article.
( R)- N-(1-Methyl-2-hydroxyethyl)-13-( S)-methyl-arachidonamide (AMG315): A Novel Chiral Potent Endocannabinoid Ligand with Stability to Metabolizing Enzymes.
Liu Y, Ji L, Eno M, Kudalkar S, Li AL, Schimpgen M, Benchama O, Morales P, Xu S, Hurst D, Wu S, Mohammad KA, Wood JT, Zvonok N, Papahatjis DP, Zhou H, Honrao C, Mackie K, Reggio P, Hohmann AG, Marnett LJ, Makriyannis A, Nikas SP. Liu Y, et al. Among authors: papahatjis dp. J Med Chem. 2018 Oct 11;61(19):8639-8657. doi: 10.1021/acs.jmedchem.8b00611. Epub 2018 Sep 21. J Med Chem. 2018. PMID: 30196704
Novel 1',1'-chain substituted hexahydrocannabinols: 9β-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid receptor 1 (CB1) agonist.
Nikas SP, Alapafuja SO, Papanastasiou I, Paronis CA, Shukla VG, Papahatjis DP, Bowman AL, Halikhedkar A, Han X, Makriyannis A. Nikas SP, et al. Among authors: papahatjis dp. J Med Chem. 2010 Oct 14;53(19):6996-7010. doi: 10.1021/jm100641g. J Med Chem. 2010. PMID: 20925434 Free PMC article.
23 results