乐胖代购免代理版

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Several reactivity parameters and charge distribution were calculated and the reactivity profile was estimated. The complexes were found to be soft and polarizable which could be responsible for their binding with bacterial targets to inhibit their growth. In contrast, pyrazinamide which is found to be hard among all is susceptible to being toxic. Moreover, the electronegative nature of the complexes can endow them with a better antibacterial effect. Since metal complexes have been found to be less toxic and more biologically interactive by computational methods, they can be employed as potent drugs for the cure of tuberculosis.<\/jats:p>","DOI":"10.1002\/jcc.27273","type":"journal-article","created":{"date-parts":[[2023,12,8]],"date-time":"2023-12-08T16:23:39Z","timestamp":1702052619000},"page":"622-632","update-policy":"http:\/\/dx.doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Computational investigation of pyrazinamide drugs and its transition metal complexes using aDFT<\/scp>approach"],"prefix":"10.1002","volume":"45","author":[{"given":"Muhammad Sanwal","family":"Khan","sequence":"first","affiliation":[{"name":"Centre for Clinical and Nutritional Chemistry, School of Chemistry University of The Punjab Lahore Pakistan"}]},{"given":"Nasir","family":"Maha","sequence":"additional","affiliation":[{"name":"Centre for Clinical and Nutritional Chemistry, School of Chemistry University of The Punjab Lahore Pakistan"}]},{"given":"Maira","family":"Riaz","sequence":"additional","affiliation":[{"name":"Centre for Clinical and Nutritional Chemistry, School of Chemistry University of The Punjab Lahore Pakistan"}]},{"given":"Tahira","family":"Yasmin","sequence":"additional","affiliation":[{"name":"Centre for Clinical and Nutritional Chemistry, School of Chemistry University of The Punjab Lahore Pakistan"}]},{"given":"Ahmad","family":"Irfan","sequence":"additional","affiliation":[{"name":"Department of Chemistry College of Science, King Khalid University Abha Saudi Arabia"}]},{"ORCID":"http:\/\/orcid.org\/0000-0002-2396-5943","authenticated-orcid":false,"given":"Muhammad Asim Raza","family":"Basra","sequence":"additional","affiliation":[{"name":"Centre for Clinical and Nutritional Chemistry, School of Chemistry University of The Punjab Lahore Pakistan"}]}],"member":"311","published-online":{"date-parts":[[2023,12,8]]},"reference":[{"key":"e_1_2_9_2_1","first-page":"8","volume":"1934","author":"Dalmer O.","year":"1936","journal-title":"Verfahren Herstellung Abk\u00f6mmlingen Pyrazinmonocarbons\u00e4ure Patentiert Deutschen Reiche"},{"key":"e_1_2_9_3_1","first-page":"523","volume":"65","author":"Yeager R. 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