{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T00:26:55Z","timestamp":1785889615127,"version":"3.56.0"},"reference-count":13,"publisher":"Wiley","license":[{"start":{"date-parts":[[2019,5,2]],"date-time":"2019-05-02T00:00:00Z","timestamp":1556755200000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Advances in Preventive Medicine"],"published-print":{"date-parts":[[2019,5,2]]},"abstract":"<jats:p>Development of more potent antituberculosis agents is as a result of emergence of multidrug resistant strains of<jats:italic> M. tuberculosis<\/jats:italic>. Novel compounds are usually synthesized by trial approach with a lot of errors, which is time consuming and expensive. QSAR is a theoretical approach, which has the potential to reduce the aforementioned problem in discovering new potent drugs against<jats:italic> M. tuberculosis<\/jats:italic>. This approach was employed to develop multivariate QSAR model to correlate the chemical structures of the 2,4-disubstituted quinoline analogues with their observed activities using a theoretical approach. In order to build the robust QSAR model, Genetic Function Approximation (GFA) was employed as a tool for selecting the best descriptors that could efficiently predict the activities of the inhibitory agents. The developed model was influenced by molecular descriptors: AATS5e, VR1_Dzs, SpMin7_Bhe, TDB9e, and RDF110s. The internal validation test for the derived model was found to have correlation coefficient (<mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" id=\"M1\"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant=\"normal\">R<\/mml:mi><\/mml:mrow><mml:mrow><mml:mn mathvariant=\"normal\">2<\/mml:mn><\/mml:mrow><\/mml:msup><\/mml:mrow><\/mml:math>) of 0.9265, adjusted correlation coefficient (<mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" id=\"M2\"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant=\"normal\">R<\/mml:mi><\/mml:mrow><mml:mrow><mml:mn mathvariant=\"normal\">2<\/mml:mn><\/mml:mrow><\/mml:msup><\/mml:mrow><\/mml:math> adj) value of 0.9045, and leave-one-out cross-validation coefficient (<mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" id=\"M3\"><mml:mi mathvariant=\"normal\">Q<\/mml:mi><mml:mo>_<\/mml:mo><mml:msup><mml:mrow><mml:mi mathvariant=\"normal\">c<\/mml:mi><mml:mi mathvariant=\"normal\">v<\/mml:mi><\/mml:mrow><mml:mrow><mml:mo>\u2227<\/mml:mo><\/mml:mrow><\/mml:msup><mml:mn mathvariant=\"normal\">2<\/mml:mn><\/mml:math>) value of 0.8512, while the external validation test was found to have (R<jats:sup>2<\/jats:sup> test) of 0.8034 and Y-randomization coefficient (<mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" id=\"M4\"><mml:mi mathvariant=\"normal\">c<\/mml:mi><mml:mi mathvariant=\"normal\">R<\/mml:mi><mml:mo>_<\/mml:mo><mml:msup><mml:mrow><mml:mi mathvariant=\"normal\">p<\/mml:mi><\/mml:mrow><mml:mrow><mml:mo>\u2227<\/mml:mo><\/mml:mrow><\/mml:msup><mml:mn mathvariant=\"normal\">2<\/mml:mn><\/mml:math>) of 0.6633. The proposed QSAR model provides a valuable approach for modification of the lead compound and design and synthesis of more potent antitubercular agents.<\/jats:p>","DOI":"10.1155\/2019\/5173786","type":"journal-article","created":{"date-parts":[[2019,5,2]],"date-time":"2019-05-02T19:35:04Z","timestamp":1556825704000},"page":"1-18","source":"Crossref","is-referenced-by-count":27,"title":["A Derived QSAR Model for Predicting Some Compounds as Potent Antagonist against<i> Mycobacterium tuberculosis<\/i>: A Theoretical Approach"],"prefix":"10.1155","volume":"2019","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7750-8174","authenticated-orcid":true,"given":"Shola Elijah","family":"Adeniji","sequence":"first","affiliation":[{"name":"Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sani","family":"Uba","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adamu","family":"Uzairu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8564-868X","authenticated-orcid":true,"given":"David Ebuka","family":"Arthur","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","reference":[{"key":"1","volume":"104","year":"2000"},{"key":"2","doi-asserted-by":"publisher","DOI":"10.1021\/cr0000067"},{"issue":"1","key":"3","first-page":"117","volume":"47","year":"2008","journal-title":"Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry"},{"key":"4","first-page":"1","volume":"3","year":"2016","journal-title":"Open Access Library Journal"},{"key":"5","doi-asserted-by":"publisher","DOI":"10.1155\/2018\/1018694"},{"issue":"3","key":"6","first-page":"479","volume":"6","year":"2018","journal-title":"Physical Chemistry Research"},{"key":"7","doi-asserted-by":"publisher","DOI":"10.9734\/JSRR\/2016\/23176"},{"key":"8","volume":"3","year":"2013","journal-title":"Journal of Current Chemical and Pharmaceutical Sciences"},{"key":"9","year":"2013","journal-title":"Journal of King Saud University - Science"},{"key":"10","first-page":"511","volume":"3","year":"2011","journal-title":"International Journal of Drug Design & Discovery"},{"key":"11","doi-asserted-by":"publisher","DOI":"10.1002\/qsar.200390007"},{"key":"12","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23231"},{"key":"14","doi-asserted-by":"publisher","DOI":"10.1016\/j.fjps.2018.10.003"}],"container-title":["Advances in Preventive Medicine"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/downloads.hindawi.com\/journals\/apm\/2019\/5173786.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/downloads.hindawi.com\/journals\/apm\/2019\/5173786.xml","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/downloads.hindawi.com\/journals\/apm\/2019\/5173786.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,2]],"date-time":"2019-05-02T19:35:06Z","timestamp":1556825706000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.hindawi.com\/journals\/apm\/2019\/5173786\/"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,5,2]]},"references-count":13,"alternative-id":["5173786","5173786"],"URL":"https:\/\/doi.org\/10.1155\/2019\/5173786","relation":{},"ISSN":["2090-3480","2090-3499"],"issn-type":[{"value":"2090-3480","type":"print"},{"value":"2090-3499","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,5,2]]}}}