Mokariya Jaydeep A, Kalola Anirudhdha G, Prasad Pratibha, Patel Manish P
Department of Chemistry, Sardar Patel University, Vallabh Vidyanagar, 388120, Gujarat, India.
Mol Divers. 2022 Apr;26(2):963-979. doi: 10.1007/s11030-021-10212-8. Epub 2021 Apr 8.
An environment friendly, high yielding, promising one-pot protocol for the click reaction of N-propargyl-3-formylindole 2(a-b), chloroacetic acid/ester 3(a-b) and sodium azide, leading to the formation of 3-formyl-indole clubbed 1,4-disubstituted-1,2,3-triazole derivatives 4(a-b), 5(a-b) and 6(a-f) aided by CuI catalyst accomplished under acceleration of simultaneous ultrasound and microwave irradiation in a very short reaction time has been described. Further, acid derivative 4(a-b) is subjected to acid-amine coupling reaction with secondary amine (p-t) in the presence of HATU to afford 6(p-t) and 7(p-t). The perspective of this protocol is to get rid of the hectic preparation and handling of organic azide which are generated in situ. Consequently, this protocol blossoms the click process by making it environment benign, user-friendly, safe and clean technique. All the synthesized compounds have been preliminarily screen for their in vitro antimicrobial activity against a panel of pathogenic strains. The majority of compounds possess noticeably inhibitory action against E. Coli, S. Typhi, P. Aeruginosa, C. tetani, S. aureus and B. subtillis. Among all compounds, 6p and 7q exhibit excellent inhibitory action against E.Coli and P. Aeruginosa strain, respectively, as compared to standard drug. One compound 5b shows remarkable potency against fungal strain. Molecular docking study was carried out to understand binding of compound with protein. In silico ADME prediction was carried out to check physicochemical properties of synthesized compound.
描述了一种环境友好、高产、有前景的一锅法协议,用于N-炔丙基-3-甲酰基吲哚2(a-b)、氯乙酸/酯3(a-b)与叠氮化钠的点击反应,在碘化亚铜催化剂的辅助下,在同时进行超声和微波辐射加速的情况下,在非常短的反应时间内生成3-甲酰基吲哚连接的1,4-二取代-1,2,3-三唑衍生物4(a-b)、5(a-b)和6(a-f)。此外,酸衍生物4(a-b)在HATU存在下与仲胺(p-t)进行酸-胺偶联反应,得到6(p-t)和7(p-t)。该协议的目的是消除原位生成的有机叠氮化物的繁琐制备和处理。因此,该协议通过使其成为环境友好、用户友好、安全和清洁的技术,使点击过程更加完善。所有合成的化合物都已针对一组致病菌株进行了体外抗菌活性的初步筛选。大多数化合物对大肠杆菌、伤寒沙门氏菌、铜绿假单胞菌、破伤风梭菌、金黄色葡萄球菌和枯草芽孢杆菌具有明显的抑制作用。在所有化合物中,与标准药物相比,6p和7q分别对大肠杆菌和铜绿假单胞菌菌株表现出优异的抑制作用。一种化合物5b对真菌菌株显示出显著的效力。进行了分子对接研究以了解化合物与蛋白质的结合。进行了计算机辅助的ADME预测以检查合成化合物的物理化学性质。