1129693-52-2Relevant academic research and scientific papers
Structure activity relationship exploration of 5-hydroxy-2-(3-phenylpropyl)chromones as a unique 5-HT2B receptor antagonist scaffold
Kim, Minsoo,Truss, Myles,Pagare, Piyusha P.,Essandoh, Martha A.,Zhang, Yan,Williams, Dwight A.
, (2020)
Antagonists for the serotonin receptor 2B (5-HT2B) have clinical applications towards migraine, anxiety, irritable bowl syndrome, and MDMA abuse; however, few selective 5-HT2B antagonists have been identified. Previous studies from these labs identified a natural product, 5-hydroxy-2-(2-phenylethyl)chromone (5-HPEC, 2) as the first non-nitrogenous ligand for the 5-HT2B receptor. Studies on 5-HPEC optimization led to the identification of 5-hydroxy-2-(3-phenylpropyl)chromone (5-HPPC, 3), which showed a tenfold improvement in binding affinity over 2 at 5-HT2B. This study aimed to further improve receptor pharmacology of this unique scaffold. Guided by molecular modeling studies modifications at the C-3′ and C-4′ positions of 3 were made to probe their effects on ligand binding affinity and efficacy. Among the derivatives synthesized 5-hydroxy-2-(3-(3-cyanophenyl)propyl)chromone (5-HCPC, 3d) showed the most promise with a multifold improvement in binding affinity (pKi = 7.1 ± 0.07) over 3 with retained antagonism.
Structure-activity relationships of antitubercular nitroimidazoles. 2. determinants of aerobic activity and quantitative structure-activity relationships
Kim, Pilho,Kang, Sunhee,Boshoff, Helena I.,Jiricek, Jan,Collins, Margaret,Singh, Ramandeep,Manjunatha, Ujjini H.,Niyomrattanakit, Pornwaratt,Zhang, Liang,Goodwin, Michael,Dick, Thomas,Keller, Thomas H.,Dowd, Cynthia S.,Barry III, Clifton E.
experimental part, p. 1329 - 1344 (2009/12/07)
The (S)-2-nitro-6-substituted 6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazines have been extensively explored for their potential use as new antituberculars based on their excellent bactericidal properties on aerobic whole cells of Mycobacterium tuberculosis. A
