NDLI: Pyrrolyl Pyrazoline Carbaldehydes as Enoyl-ACP Reductase Inhibitors: Design, Synthesis and Antitubercular Activity.

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Pyrrolyl Pyrazoline Carbaldehydes as Enoyl-ACP Reductase Inhibitors: Design, Synthesis and Antitubercular Activity.

Content Provider	Europe PMC
Author	Dixit, Sheshagiri R. Joshi, Shrinivas D. Kulkarni, Venkatarao H. Jalalpure, Sunil S. Kumbar, Vijay M. Mudaraddi, Tulasigiriyappa Y. Nadagouda, Mallikarjuna N. Aminabhavi, Tejraj M.
Copyright Year	2017
Abstract	Introduction: In efforts to develop new antitubercular (anti-TB) compounds, herein we describe cytotoxic evaluation of 15 newly synthesized pyrrolyl pyrazoline carbaldehydes. Method & Materials: Surflex-Docking method was used to study binding modes of the compounds at the active site of the enzyme enoyl ACP reductase from Mycobacterium tuberculosis (M. tuberculosis), which plays an important role in FAS-II biosynthetic pathway of M. tuberculosis and also it is an important target for designing novel anti-TB agents. Results: Among the synthesized compounds, compounds 4g and 4i showed H-bonding interactions with MET98, TYR158 and co-factor NAD+, all of which fitted well within the binding pocket of InhA. Also, these compounds have shown the same type of interaction as that of 4TZK ligand. The compounds were further evaluated for preliminary anti-TB activities against M. tuberculosis H37Rv strain. Conclusion: Some compounds were also screened for their mammalian cell toxicity using human lung cancer cell-line (A549) that was found to be nontoxic.
Related Links	https://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC5676022&blobtype=pdf
Volume Number	11
DOI	10.2174/1874104501711010092
PubMed Central reference number	PMC5676022
PubMed reference number	29151986
Journal	The Open Medicinal Chemistry Journal [Open Med Chem J]
e-ISSN	18741045
Language	English
Publisher	Bentham Open
Publisher Date	2017-09-26
Access Restriction	Open
Rights License	This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 International Public License (CC-BY 4.0), a copy of which is available at: https://creativecommons.org/licenses/by/4.0/legalcode. This license permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. © 2017 Dixit et al.
Subject Keyword	Surflex docking Cytotoxicity Antitubercular activity Pyrazoline carbaldehyde
Content Type	Text
Resource Type	Article
Subject	Drug Discovery Pharmaceutical Science Pharmacology Molecular Medicine

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