{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,17]],"date-time":"2025-11-17T14:21:24Z","timestamp":1763389284188,"version":"build-2065373602"},"reference-count":48,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2020,1,21]],"date-time":"2020-01-21T00:00:00Z","timestamp":1579564800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"publisher","award":["UID\/QUI\/50006\/2019, PTDC\/BTM-SAL\/29786\/2017, PTDC\/QUI\/67933\/2006 and PTDC\/MED-QUI\/29036\/2017."],"award-info":[{"award-number":["UID\/QUI\/50006\/2019, PTDC\/BTM-SAL\/29786\/2017, PTDC\/QUI\/67933\/2006 and PTDC\/MED-QUI\/29036\/2017."]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Tuberculosis, caused by Mycobacterium tuberculosis (Mtb), remains one of the top ten causes of death worldwide and the main cause of mortality from a single infectious agent. The upsurge of multi- and extensively-drug resistant tuberculosis cases calls for an urgent need to develop new and more effective antitubercular drugs. As the cinnamoyl scaffold is a privileged and important pharmacophore in medicinal chemistry, some studies were conducted to find novel cinnamic acid derivatives (CAD) potentially active against tuberculosis. In this context, we have engaged in the setting up of a quantitative structure\u2013activity relationships (QSAR) strategy to: (i) derive through multiple linear regression analysis a statistically significant model to describe the antitubercular activity of CAD towards wild-type Mtb; and (ii) identify the most relevant properties with an impact on the antitubercular behavior of those derivatives. The best-found model involved only geometrical and electronic CAD related properties and was successfully challenged through strict internal and external validation procedures. The physicochemical information encoded by the identified descriptors can be used to propose specific structural modifications to design better CAD antitubercular compounds.<\/jats:p>","DOI":"10.3390\/molecules25030456","type":"journal-article","created":{"date-parts":[[2020,1,27]],"date-time":"2020-01-27T11:41:57Z","timestamp":1580125317000},"page":"456","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Cinnamic Derivatives as Antitubercular Agents: Characterization by Quantitative Structure\u2013Activity Relationship Studies"],"prefix":"10.3390","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9506-3781","authenticated-orcid":false,"given":"C\u00e1tia","family":"Teixeira","sequence":"first","affiliation":[{"name":"LAQV-REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica da Faculdade de Ci\u00eancias da Universidade do Porto, P-4169-007 Porto, Portugal"}]},{"given":"Cristina","family":"Ventura","sequence":"additional","affiliation":[{"name":"Instituto Superior de Educa\u00e7\u00e3o e Ci\u00eancias, P-1750-142 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5993-1385","authenticated-orcid":false,"given":"Jos\u00e9 R. B.","family":"Gomes","sequence":"additional","affiliation":[{"name":"CICECO, Departamento de Qu\u00edmica, Universidade de Aveiro, P-3810-193 Aveiro, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6018-4724","authenticated-orcid":false,"given":"Paula","family":"Gomes","sequence":"additional","affiliation":[{"name":"LAQV-REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica da Faculdade de Ci\u00eancias da Universidade do Porto, P-4169-007 Porto, Portugal"}]},{"given":"Filomena","family":"Martins","sequence":"additional","affiliation":[{"name":"Centro de Qu\u00edmica e Bioqu\u00edmica (CQB), Centro de Qu\u00edmica Estrutural (CQE), Faculdade de Ci\u00eancias da Universidade de Lisboa, P-1749-016 Lisboa, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2020,1,21]]},"reference":[{"key":"ref_1","unstructured":"World Health Organization (2019, December 03). Global Tuberculosis Report. 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