{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T07:30:14Z","timestamp":1785310214923,"version":"3.55.0"},"reference-count":45,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2020,5,7]],"date-time":"2020-05-07T00:00:00Z","timestamp":1588809600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Deputyship for Research &amp; Innovation, Ministry of Education in Saudi Arabia","award":["Research Project Number 1058"],"award-info":[{"award-number":["Research Project Number 1058"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Antibiotics"],"abstract":"<jats:p>A series of ethyl 1-(substituted benzoyl)-5-methylpyrrolo[1,2-a]quinoline-3-carboxylates 4a\u2013f and dimethyl 1-(substituted benzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylates 4g\u2013k 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 Mycobacterium tuberculosis 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\u2013128 \u00b5g\/mL against H37Rv. The test compound dimethyl-1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate 4j emerged as the most promising anti-TB agent against H37Rv and multidrug-resistant strains of Mycobacterium tuberculosis at 8 and 16 \u00b5g\/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.<\/jats:p>","DOI":"10.3390\/antibiotics9050233","type":"journal-article","created":{"date-parts":[[2020,5,7]],"date-time":"2020-05-07T04:46:07Z","timestamp":1588826767000},"page":"233","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":48,"title":["Cytotoxicity and Antimycobacterial Properties of Pyrrolo[1,2-a]quinoline Derivatives: Molecular Target Identification and Molecular Docking Studies"],"prefix":"10.3390","volume":"9","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0680-1549","authenticated-orcid":false,"given":"Katharigatta N.","family":"Venugopala","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa 31982, Saudi Arabia"},{"name":"Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2291-6477","authenticated-orcid":false,"given":"Vijayakumar","family":"Uppar","sequence":"additional","affiliation":[{"name":"Department of Chemistry, School of Basic Science, Rani Channamma University, Belagavi 591156, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2475-7270","authenticated-orcid":false,"given":"Sandeep","family":"Chandrashekharappa","sequence":"additional","affiliation":[{"name":"Institute for Stem Cell Biology and Regenerative Medicine, National Center for Biological Sciences (NCBS), Tata Institute of Fundamental Research (TIFR), Gandhi Krishi Vignana Kendra (GKVK) Campus, Bangalore 560065, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9198-0475","authenticated-orcid":false,"given":"Hassan 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Med. Chem. Lett."},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Ambre, P.K., Pissurlenkar, R.R.S., Wavhale, R.D., Shaikh, M.S., Khedkar, V.M., Wan, B., Franzblau, S.G., and Coutinho, E.C. (2013). Design, synthesis, and evaluation of 4-(substituted)phenyl-2-thioxo-3,4-dihydro-1H-chromino[4,3-d]pyrimidin-5-one and 4-(substituted)phenyl-3,4-dihydro-1H-chromino[4,3-d]pyrimidine-2,5-dione analogs as antitubercular agents. Med. Chem. Res.","DOI":"10.1007\/s00044-013-0850-7"},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1016\/S1473-3099(10)70139-0","article-title":"Best drug treatment for multidrug-resistant and extensively drug-resistant tuberculosis","volume":"10","author":"Caminero","year":"2010","journal-title":"Lancet Infect. Dis."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1016\/S1472-9792(02)00058-6","article-title":"The global situation of MDR-TB","volume":"83","author":"Espinal","year":"2003","journal-title":"Tuberculosis"},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"2654","DOI":"10.1080\/07391102.2016.1227725","article-title":"Antimycobacterial, docking and molecular dynamic studies of pentacyclic triterpenes from Buddleja saligna leaves","volume":"35","author":"Alveera","year":"2017","journal-title":"J. Biomol. Struct. Dyn."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1002\/psc.1389","article-title":"Total synthesis of a depsidomycin analogue by convergent solid-phase peptide synthesis and macrolactonization strategy for antitubercular activity","volume":"17","author":"Venugopala","year":"2011","journal-title":"J. Pept. Sci."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1111\/cbdd.12065","article-title":"Synthesis and antitubercular activity of 2-(substituted phenyl\/benzyl-amino)-6-(4-chlorophenyl)-5-(methoxycarbonyl)-4-methyl-3,6-dihydropyrimidin-1-ium chlorides","volume":"81","author":"Venugopala","year":"2013","journal-title":"Chem. Biol. Drug Des."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"2681","DOI":"10.2147\/DDDT.S109760","article-title":"Design, synthesis, and characterization of (1-(4-aryl)-1H-1,2,3-triazol-4-yl)methyl, substituted phenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates against Mycobacterium tuberculosis","volume":"10","author":"Venugopala","year":"2016","journal-title":"Drug Des. Dev. Ther."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"311","DOI":"10.2174\/1573406414666180703121815","article-title":"Synthesis and structural elucidation of novel benzothiazole derivatives as anti-tubercular agents: In-silico screening for possible target identification","volume":"15","author":"Venugopala","year":"2019","journal-title":"Med. Chem."},{"key":"ref_10","doi-asserted-by":"crossref","unstructured":"Venugopala, K.N., Chandrashekharappa, S., Pillay, M., Abdallah, H.H., Mahomoodally, F.M., Bhandary, S., Chopra, D., Attimarad, M., Aldhubiab, B.E., and Nair, A.B. (2019). Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues. PLoS ONE, 14.","DOI":"10.1371\/journal.pone.0217270"},{"key":"ref_11","doi-asserted-by":"crossref","unstructured":"Venugopala, K.N., Tratrat, C., Pillay, M., Mahomoodally, F.M., Bhandary, S., Chopra, D., Morsy, M.A., Haroun, M., Aldhubiab, B.E., and Attimarad, M. (2019). Anti-tubercular activity of substituted 7-methyl and 7-formylindolizines and in silico study for prospective molecular target identification. Antibiotics, 8.","DOI":"10.3390\/antibiotics8040247"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"2163","DOI":"10.1080\/07391102.2017.1345325","article-title":"Molecular modeling studies and anti-TB activity of trisubstituted indolizine analogues; molecular docking and dynamic inputs","volume":"36","author":"Khedr","year":"2018","journal-title":"J. Biomol. Struct. Dyn."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"1027","DOI":"10.2147\/DDDT.S228381","article-title":"In silico design and synthesis of tetrahydropyrimidinones and tetrahydropyrimidinethiones as potential thymidylate kinase inhibitors exerting anti-TB activity against Mycobacterium tuberculosis","volume":"14","author":"Venugopala","year":"2020","journal-title":"Drug Des. Dev. Ther."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"2449","DOI":"10.1039\/c000277a","article-title":"Regioselective synthesis of 3-acylindolizines and benzo- analogues via 1,3-dipolar cycloadditions of N-ylides with maleic anhydride","volume":"8","author":"Liu","year":"2010","journal-title":"Org. Biomol. Chem."},{"key":"ref_15","first-page":"49","article-title":"Review on chemistry of natural and synthetic indolizines with their chemical and pharmacological properties","volume":"8","author":"Sandeep","year":"2016","journal-title":"J. Basic Clin. Pharm."},{"key":"ref_16","doi-asserted-by":"crossref","unstructured":"Uppar, V., Mudnakudu-Nagaraju, K.K., Basarikattia, A.I., Chougala, M., Chandrashekharappa, S., Mohan, M.K., Banuprakashe, G., Venugopala, K.N., Ningegowda, R., and Padmashali, B. (2020). Microwave induced synthesis, and pharmacological properties of novel 1- benzoyl-4-bromopyrrolo[1,2-a]quinoline-3-carboxylate analogues. Chem. Data Collect.","DOI":"10.1016\/j.cdc.2019.100316"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1021\/jm00261a019","article-title":"Synthesis and anti-inflammatory activity of some 2,2-dimethyl-1,2-dihydroquinolines","volume":"16","author":"Dillard","year":"1973","journal-title":"J. Med. Chem."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"1255","DOI":"10.1016\/S0960-894X(98)00201-7","article-title":"Quinolines as potent 5-lipoxygenase inhibitors: Synthesis and biological profile of L-746,530","volume":"8","author":"Blouin","year":"1998","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref_19","doi-asserted-by":"crossref","unstructured":"Uppar, V., Chandrashekharappa, S., Venugopala, K.N., Deb, P.K., Kar, S., Alwassil, O.I., Gleiser, R.M., Garcia, D., Odhav, B., and Mohan, M.K. (2020). Synthesis and characterization of pyrrolo[1,2-a]quinoline derivatives for their larvicidal activity against Anopheles arabiensis. Struct. Chem.","DOI":"10.1007\/s11224-020-01516-w"},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"2925","DOI":"10.1016\/j.bmc.2008.10.088","article-title":"Design and synthesis of novel dihydroquinoline-3-carboxylic acids as HIV-1 integrase inhibitors","volume":"17","author":"Sechi","year":"2009","journal-title":"Bioorg. Med. Chem."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"6119","DOI":"10.1016\/j.ejmech.2011.09.038","article-title":"Synthesis and biological assessment of diversely substituted furo[2,3-b]quinolin-4-amine and pyrrolo[2,3-b]quinolin-4-amine derivatives, as novel tacrine analogues","volume":"46","author":"Martins","year":"2011","journal-title":"Eur. J. Med. Chem."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1056\/NEJMp1314385","article-title":"FDA Approval of Bedaquiline\u2014The benefit\u2013risk balance for drug-resistant Tuberculosis","volume":"371","author":"Cox","year":"2014","journal-title":"N. Engl. J. Med."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"8637","DOI":"10.1039\/c2ra21213g","article-title":"Copper acetate monohydrate: A cheap but efficient oxidant for synthesizing multi-substituted indolizines from pyridinium ylides and electron deficient alkenes","volume":"2","author":"Hu","year":"2012","journal-title":"RSC Adv."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1021\/ci500588j","article-title":"DataWarrior: An open-source program for chemistry aware data visualization and analysis","volume":"55","author":"Sander","year":"2015","journal-title":"J. Chem. Inf. Model."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"962","DOI":"10.1111\/cbdd.13155","article-title":"Synthesis, adenosine receptor binding and molecular modelling studies of novel thieno[2,3-d]pyrimidine derivatives","volume":"91","author":"Deb","year":"2018","journal-title":"Chem. Biol. Drug Des."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"6227","DOI":"10.14233\/ajchem.2014.17195","article-title":"Molecular docking studies and comparative binding mode analysis of FDA approved HIV protease inhibitors","volume":"26","author":"Deb","year":"2014","journal-title":"Asian J. Chem."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"6221","DOI":"10.14233\/ajchem.2014.17175","article-title":"In silico binding mode analysis (molecular docking studies), and ADME prediction of some novel inhibitors of aurora kinase a in clinical trials","volume":"26","author":"Deb","year":"2014","journal-title":"Asian J. Chem."},{"key":"ref_28","first-page":"901","article-title":"Multicenter study of MTT and resazurin assays for testing susceptibility to first-line anti-tuberculosis drugs","volume":"9","author":"Martin","year":"2005","journal-title":"Int. J. Tuberc. Lung Dis."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"447","DOI":"10.1093\/jac\/47.4.447","article-title":"Inhibitory activity of quinolones against DNA gyrase of Mycobacterium tuberculosis","volume":"47","author":"Yoshikuni","year":"2001","journal-title":"J. Antimicrob. Chemother."},{"key":"ref_30","first-page":"1067","article-title":"Automable radiometric detection of growth of Mycobacterium tuberculosis in selective media","volume":"115","author":"Middlebrook","year":"1977","journal-title":"Am. Rev. Respir. Dis."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/0022-1759(83)90303-4","article-title":"Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays","volume":"65","author":"Mossman","year":"1983","journal-title":"J. Immunol. Methods"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1055\/s-0028-1088397","article-title":"In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens","volume":"75","author":"Rollinger","year":"2009","journal-title":"Planta Med."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1016\/j.ddtec.2006.12.008","article-title":"In silico target fishing: Predicting biological targets from chemical structure","volume":"3","author":"Jenkins","year":"2006","journal-title":"Drug Discov. Today Technol."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1186\/1758-2946-6-33","article-title":"In Silico target fishing: Addressing a \u201cBig Data\u201d problem by ligand-based similarity rankings with data fusion","volume":"6","author":"Liu","year":"2014","journal-title":"J. Cheminformatics"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"797","DOI":"10.1021\/ci700359j","article-title":"Flexophore, a new versatile 3D pharmacophore descriptor that considers molecular flexibility","volume":"48","author":"Freyss","year":"2008","journal-title":"J. Chem. Inf. Model."},{"key":"ref_36","unstructured":"Tekade, R.K. (2018). Chapter 19\u2014Applications of Computers in Pharmaceutical Product Formulation. Dosage Form Design Parameters, Academic Press."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"2615","DOI":"10.1021\/jm020017n","article-title":"Molecular properties that influence the oral bioavailability of drug candidates","volume":"45","author":"Veber","year":"2002","journal-title":"J. Med. Chem."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/0471141755.ph0912s49","article-title":"Overview on the Rule of Five","volume":"49","author":"Pollastri","year":"2010","journal-title":"Curr. Protoc. Pharmacol."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"1203","DOI":"10.1177\/00912709922012006","article-title":"The contribution of P-glycoprotein to pharmacokinetic drug-drug interactions","volume":"39","author":"Yu","year":"1999","journal-title":"J. Clin. Pharmacol."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"6","DOI":"10.1046\/j.1365-2362.33.s2.4.x","article-title":"Importance of P-glycoprotein for drug disposition in humans","volume":"33","author":"Fromm","year":"2003","journal-title":"Eur. J. Clin. Investig."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"1089","DOI":"10.1007\/s11095-006-0277-7","article-title":"CYP induction-mediated drug interactions: In vitro assessment and clinical implications","volume":"23","author":"Lin","year":"2006","journal-title":"Pharm. Res."},{"key":"ref_43","unstructured":"Frisch, M.J., Trucks, G.W.T., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., and Nakatsuji, H. (2016). Gaussian 09, Gaussian, Inc.. Revision A.02."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/j.cell.2017.06.025","article-title":"Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13","volume":"170","author":"Aggarwal","year":"2017","journal-title":"Cell"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"1398","DOI":"10.1016\/j.str.2016.06.010","article-title":"High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits","volume":"24","author":"Schiebel","year":"2016","journal-title":"Structure"}],"container-title":["Antibiotics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2079-6382\/9\/5\/233\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T09:26:14Z","timestamp":1760174774000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2079-6382\/9\/5\/233"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,5,7]]},"references-count":45,"journal-issue":{"issue":"5","published-online":{"date-parts":[[2020,5]]}},"alternative-id":["antibiotics9050233"],"URL":"https:\/\/doi.org\/10.3390\/antibiotics9050233","relation":{},"ISSN":["2079-6382"],"issn-type":[{"value":"2079-6382","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,5,7]]}}}