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Dihydrofolate reductase (DHFR), essential for cell survival and a known drug target, has emerged as a promising enzyme for anti\u2010TB drug development. Using crystallographic structures of\n                    <jats:italic>Mycobacterium tuberculosis<\/jats:italic>\n                    DHFR (MtDHFR) complexed with classical and potential inhibitors, a quantum\u2010chemical analysis was performed through the molecular fractionation with conjugate caps (MFCC) scheme within the density functional theory (DFT) framework to quantify individual amino acid contributions to ligand\u2010protein interactions. Energetically significant interactions were observed within a 6.0 \u00c5 pocket, when convergence of the total interaction energy (TIE) was found. The key residues I5, W6, D19, I20, R23, D27, Q28, H30, F31, R32, L50, K53, L57, R60, I94, and E111 were identified, along with the energetically relevant regions of the ligands and the major secondary structures of the protein. These results may guide the design of new anti\u2010TB drugs.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202502971","type":"journal-article","created":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T16:13:36Z","timestamp":1775060016000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Quantum\u2010Chemical Evaluation of the Interaction Between the\n                    <i>Mycobacterium tuberculosis<\/i>\n                    Dihydrofolate Reductase Enzyme With Classical and Potential Inhibitors"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6428-811X","authenticated-orcid":false,"given":"Jos\u00e9 Xavier de","family":"Lima Neto","sequence":"first","affiliation":[{"name":"Departamento de F\u00edsica Universidade Federal do Cear\u00e1  Fortaleza Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Umberto 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