NDLI: Antimycobacterial activity and in silico study of highly functionalised dispiropyrrolidines

Content Provider	Springer Nature Link
Author	Wei, Ang Chee Ali, Mohamed Ashraf Yoon, Yeong Keng Choi, Sy Bing Osman, Hasnah Masand, Vijay H. Choon, Tan Soo
Copyright Year	2014
Abstract	Two series of novel and highly functionalised dispiropyrrolidines were synthesized using 1,3-dipolar cycloaddition reaction. The synthesized compounds were screened for their antimycobacterial activity against M. tuberculosis H37Rv using the Promega reagent BacTiter-Glo™ Microbial Cell Viability (BTG). Molecular docking analysis was carried out for the active compounds against the target enzyme enoyl-ACP reductase (InhA) to understand the possible binding mode. Of the 24 novel synthesized compounds, seven dispiropyrrolidines revealed inhibition with EC50 <25 µM. Compound 5b 7′-(4-chlorophenyl)-5′,6′,7′,7a′-tetrahydrodispiro[indan-2,5′-pyrrolo[1,2-c]-[1,3]thiazole-6′,2″-indan]-1,3,1″-trione was found to be the most active with EC50 of 10.52 µM, and was 2.2-fold more active than cycloserine. The docking result revealed that 5b had good affinity with the catalytic residues in InhA, forming hydrophobic and mild polar interactions with the important amino acids in the active site.
Starting Page	818
Ending Page	828
Page Count	11
File Format	PDF
ISSN	10542523
Journal	Medicinal Chemistry Research
Volume Number	24
Issue Number	2
e-ISSN	15548120
Language	English
Publisher	Springer US
Publisher Date	2014-07-24
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Dispiropyrrolidines 1,3-Dipolar cycloaddition Antimycobacterial Enoyl-ACP-reductase Molecular docking Pharmacology/Toxicology Biochemistry Cell Biology
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Pharmacology, Toxicology and Pharmaceutics

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