Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives

• Published in: Bioorganic Chemistry
• Main Author: Taha M.; Baharudin M.S.; Ismail N.H.; Imran S.; Khan M.N.; Rahim F.; Selvaraj M.; Chigurupati S.; Nawaz M.; Qureshi F.; Vijayabalan S.
• Format: Article
• Language: English
• Published: Academic Press Inc. 2018
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85047793204&doi=10.1016%2fj.bioorg.2018.05.021&partnerID=40&md5=49c8b92a582bc139de13c9663d532f2a
• ISSN: 452068
• DOI: 10.1016/j.bioorg.2018.05.021

In search of potent α-amylase inhibitor we have synthesized eighteen indole analogs (1–18), characterized by NMR and HR-EIMS and screened for α-amylase inhibitory activity. All analogs exhibited a variable degree of α-amylase inhibition with IC 50 values ranging between 2.031 ± 0.11 and 2.633 ± 0.05 μM when compared with standard acarbose having IC 50 values 1.927 ± 0.17 μM. All compounds showed good α-amylase inhibition. Compound 14 was found to be the most potent analog among the series. Structure-activity relationship has been established for all compounds mainly based on bringing about the difference of substituents on phenyl ring. To understand the binding interaction of the most active analogs molecular docking study was performed. © 2018 Elsevier Inc.