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Cytotoxicity and Antimycobacterial Properties of Pyrrolo[1,2-<i>a</i>]quinoline Derivatives: Molecular Target Identification and Molecular Docking Studies

A series of ethyl 1-(substituted benzoyl)-5-methylpyrrolo[1,2-<i>a</i>]quinoline-3-carboxylates <b>4a</b>-<b>f</b> and dimethyl 1-(substituted benzoyl)-5-methylpyrrolo[1,2-<i>a</i>]quinoline-2,3-dicarboxylates <b>4g</b>-<b>k</b>...

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Main Authors:	Katharigatta N. Venugopala (Author), Vijayakumar Uppar (Author), Sandeep Chandrashekharappa (Author), Hassan H. Abdallah (Author), Melendhran Pillay (Author), Pran Kishore Deb (Author), Mohamed A. Morsy (Author), Bandar E. Aldhubiab (Author), Mahesh Attimarad (Author), Anroop B. Nair (Author), Nagaraja Sreeharsha (Author), Christophe Tratrat (Author), Abdulmuttaleb Yousef Jaber (Author), Rashmi Venugopala (Author), Raghu Prasad Mailavaram (Author), Bilal A. Al-Jaidi (Author), Mahmoud Kandeel (Author), Michelyne Haroun (Author), Basavaraj Padmashali (Author)
Format:	Book
Published:	MDPI AG, 2020-05-01T00:00:00Z.
Subjects:	article
Online Access:	Connect to this object online.
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Summary:	A series of ethyl 1-(substituted benzoyl)-5-methylpyrrolo[1,2-<i>a</i>]quinoline-3-carboxylates <b>4a</b>-<b>f</b> and dimethyl 1-(substituted benzoyl)-5-methylpyrrolo[1,2-<i>a</i>]quinoline-2,3-dicarboxylates <b>4g</b>-<b>k</b> have been synthesized and evaluated for their anti-tubercular (TB) activities against H37Rv (American Type Culture Collection (ATCC) strain 25177) and multidrug-resistant (MDR) strains of <i>Mycobacterium tuberculosis</i> by resazurin microplate assay (REMA). Molecular target identification for these compounds was also carried out by a computational approach. All test compounds exhibited anti-tuberculosis (TB) activity in the range of 8-128 µg/mL against H37Rv. The test compound dimethyl-1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-<i>a</i>]quinoline-2,3-dicarboxylate <b>4j</b> emerged as the most promising anti-TB agent against H37Rv and multidrug-resistant strains of <i>Mycobacterium tuberculosis</i> at 8 and 16 µg/mL, respectively. In silico evaluation of pharmacokinetic properties indicated overall drug-likeness for most of the compounds. Docking studies were also carried out to investigate the binding affinities as well as interactions of these compounds with the target proteins.
Item Description:	10.3390/antibiotics9050233 2079-6382