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

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

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...

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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
id 2-s2.0-85047793204
spelling 2-s2.0-85047793204
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.
Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
2018
Bioorganic Chemistry
80

10.1016/j.bioorg.2018.05.021
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85047793204&doi=10.1016%2fj.bioorg.2018.05.021&partnerID=40&md5=49c8b92a582bc139de13c9663d532f2a
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.
Academic Press Inc.
452068
English
Article
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.
spellingShingle 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.
Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
author_facet 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.
author_sort 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.
title Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
title_short Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
title_full Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
title_fullStr Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
title_full_unstemmed Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
title_sort Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
publishDate 2018
container_title Bioorganic Chemistry
container_volume 80
container_issue
doi_str_mv 10.1016/j.bioorg.2018.05.021
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85047793204&doi=10.1016%2fj.bioorg.2018.05.021&partnerID=40&md5=49c8b92a582bc139de13c9663d532f2a
description 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.
publisher Academic Press Inc.
issn 452068
language English
format Article
accesstype
record_format scopus
collection Scopus
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