{"doi":"10.1002/slct.202300042","title":"QSAR‐Guided Study for the Microwave‐Assisted Synthesis of 4‐Methylquinoline Derivatives with Antimycobacterial Activity","abstract":"Abstract Tuberculosis was discovered more than a century ago, and it is still a disease that presents difficulties in its treatment due to the appearance of new resistant strains. To design new antituberculosis agents with a quinoline structure, our group developed three‐dimensional structure‐activity relationship (3D‐QSAR) models, based on Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Index Analysis (CoMSIA). Statistically robust models (q 2 >0.6; r 2 ncv >0.8; r 2 pred >0.7) and with good external predictability were obtained. We found that positions 2, 3, and 4 of the quinoline nucleus are directly related to the modulation of the growth inhibitory activity of Mycobacterium tuberculosis H 37 Rv. To validate the models, we synthesized twelve quinolines through the Friëdlander reaction and three indolinones. The synthesized compounds were evaluated in the growth inhibition of resistant H 37 Rv tuberculosis strains (rpoB S450L , katG del , and gyrA D94K ) and in nontuberculous strains ( M. avium and M. abscessus ). We found that the compound ( Z )‐4‐((2‐oxoindolin‐3‐ylidene)amino)‐ N ‐(thiazol‐2‐yl)benzenesulfonamide was active in all resistant strains; the compound 2‐(1 H ‐indol‐3‐yl)‐4‐methylquinoline was active on M. avium ; and the compound 10‐methyl‐11 H ‐indeno[1,2‐b]quinoline was active on M. abscessus . These models are useful for the discovery of new compounds with inhibitory properties of M. tuberculosis H 37 Rv, and with potential applications in resistant and nontuberculous strains.","journal":"ChemistrySelect","year":2023,"id":368588,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":3,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9511,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1126924,"name":"Mauricio Soto","orcid":"0009-0001-1864-7561","position":1,"is_corresponding":false},{"id":1126925,"name":"Gisela C. Muscia","orcid":"0000-0003-2501-7119","position":2,"is_corresponding":false},{"id":135127,"name":"Gustavo P. Romanelli","orcid":"0000-0002-3529-4753","position":3,"is_corresponding":false},{"id":1126926,"name":"Ángel G. Sathicq","orcid":"0000-0003-4876-6286","position":4,"is_corresponding":false},{"id":1126927,"name":"César González","orcid":"0000-0002-0830-8507","position":5,"is_corresponding":false},{"id":1126928,"name":"Jaime Mella","orcid":"0000-0002-2434-8461","position":6,"is_corresponding":false},{"id":1126929,"name":"Marco Mellado","orcid":"0000-0001-9577-5180","position":7,"is_corresponding":false},{"id":1126930,"name":"Silvia E. Ası́s","orcid":"0000-0002-3978-8638","position":8,"is_corresponding":false},{"id":1127422,"name":"Ayelen Luczywo","orcid":null,"position":0,"is_corresponding":true}],"reference_count":32,"raw_metadata":null,"created_at":"2026-07-19T01:15:24.517012Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}