Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies

Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies

The high potential of quinoline containing natural products and their derivatives in medicinal chemistry led us to discover a novel series of compounds 6–23 based on the concept of molecular hybridization. Most of the synthesized analogues exhibited potent leishmanicidal potential. The most potent c...

Full description

Bibliographic Details
Published in:Bioorganic Chemistry
Main Author: Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
Format: Article
Language:English
Published: Academic Press Inc. 2017
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85013078177&doi=10.1016%2fj.bioorg.2017.02.005&partnerID=40&md5=e5c710c4b1205f0ad97509871f6d5cee
id 2-s2.0-85013078177
spelling 2-s2.0-85013078177
Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
2017
Bioorganic Chemistry
71

10.1016/j.bioorg.2017.02.005
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85013078177&doi=10.1016%2fj.bioorg.2017.02.005&partnerID=40&md5=e5c710c4b1205f0ad97509871f6d5cee
The high potential of quinoline containing natural products and their derivatives in medicinal chemistry led us to discover a novel series of compounds 6–23 based on the concept of molecular hybridization. Most of the synthesized analogues exhibited potent leishmanicidal potential. The most potent compound (23, IC50 = 0.10 ± 0.001 μM) among the series was found ∼70 times more lethal than the standard drug. The current series 6–23 conceded in the development of fourteen (14) extraordinarily active compounds against leishmaniasis. In silico analysis were also performed to probe the mode of action while all the compounds structure were established by NMR and Mass spectral analysis. © 2017 Elsevier Inc.
Academic Press Inc.
452068
English
Article
author Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
spellingShingle Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
author_facet Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
author_sort Taha M.; Ismail N.H.; Ali M.; Rashid U.; Imran S.; Uddin N.; Khan K.M.
title Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
title_short Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
title_full Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
title_fullStr Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
title_full_unstemmed Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
title_sort Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies
publishDate 2017
container_title Bioorganic Chemistry
container_volume 71
container_issue
doi_str_mv 10.1016/j.bioorg.2017.02.005
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85013078177&doi=10.1016%2fj.bioorg.2017.02.005&partnerID=40&md5=e5c710c4b1205f0ad97509871f6d5cee
description The high potential of quinoline containing natural products and their derivatives in medicinal chemistry led us to discover a novel series of compounds 6–23 based on the concept of molecular hybridization. Most of the synthesized analogues exhibited potent leishmanicidal potential. The most potent compound (23, IC50 = 0.10 ± 0.001 μM) among the series was found ∼70 times more lethal than the standard drug. The current series 6–23 conceded in the development of fourteen (14) extraordinarily active compounds against leishmaniasis. In silico analysis were also performed to probe the mode of action while all the compounds structure were established by NMR and Mass spectral analysis. © 2017 Elsevier Inc.
publisher Academic Press Inc.
issn 452068
language English
format Article
accesstype
record_format scopus
collection Scopus
_version_ 1812871800710758400

Similar Items