化学
苯并噻唑
对接(动物)
查尔酮
胸苷酸合酶
马来丝虫
体外
生物信息学
生物化学
活动站点
酶
立体化学
生物
护理部
蠕虫
基因
动物
医学
化疗
遗传学
丝虫病
氟尿嘧啶
作者
Koneni V. Sashidhara,Srinivasa Rao Avula,Pawan Kumar Doharey,Lakhwant Singh,Vishal M. Balaramnavar,Jyoti Gupta,Shailja Misra‐Bhattacharya,Sushma Rathaur,Anil Kumar Saxena,Jitendra Kumar Saxena
标识
DOI:10.1016/j.ejmech.2015.09.004
摘要
In our continuing search for safe and efficacious antifilarials, a series of novel chalcone-benzothiazole hybrids have been synthesized and evaluated for their Brugia malayi thymidylate kinase (BmTMK) enzyme inhibition activity. Their selectivity towards BmTMK was studied and compared to the human TMK (HsTMK) by an in silico method. Out of seventeen derivatives, compounds 34 and 42 showed higher interactions with the BmTMK active site. MolDock docking model revealed the interactions of these two derivatives and the results corroborated well with their in vitro antifilarial activities. Our studies suggest that these hybrids are selective towards the BmTMK enzyme and may serve as potential therapeutic agents against filariasis.
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