000132167 001__ 132167
000132167 005__ 20250923084417.0
000132167 0247_ $$2doi$$a10.3390/ijms25010435
000132167 0248_ $$2sideral$$a137420
000132167 037__ $$aART-2024-137420
000132167 041__ $$aeng
000132167 100__ $$aOcchiuzzi, Maria Antonietta
000132167 245__ $$aDissecting CYP1A2 Activation by Arylalkanoic Acid Prodrugs toward the Development of Anti-Inflammatory Agents
000132167 260__ $$c2024
000132167 5060_ $$aAccess copy available to the general public$$fUnrestricted
000132167 5203_ $$aArylalkane-derived prodrugs of arylacetic acids are a small group of substances that have long been known for their anti-inflammatory action. Despite their ease of synthesis and good potential for the development of new potent and safe anti-inflammatory agents, this group of substances has not received much attention from researchers so far. Therefore, representative arylalkane derivatives were investigated through molecular docking techniques to verify the possible hepatic activation mode toward active metabolites by CYP1A2. In this regard, arylalkanoic acid prodrugs were docked with a crystallographic structure of human CYP1A2, in which the enzyme is co-crystallized with the selective competitive inhibitor α-naphthoflavone BHF. Of note, all the examined compounds proved capable of interacting with the enzyme active site in a manner similar to Nabumetone, thus confirming that a productive metabolic transformation is feasible. On the basis of these findings, it is possible to argue that subtle differences in the way CYP1A2 accommodates the ligands depend on the fine details of their molecular structures. Overall, these data suggest that compounds simply formed by an aromatic moiety bearing an appropriate alkane-derived chain could lead to innovative anti-inflammatory agents.
000132167 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000132167 590__ $$a4.9$$b2024
000132167 592__ $$a1.273$$b2024
000132167 591__ $$aBIOCHEMISTRY & MOLECULAR BIOLOGY$$b72 / 319 = 0.226$$c2024$$dQ1$$eT1
000132167 593__ $$aMedicine (miscellaneous)$$c2024$$dQ1
000132167 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b70 / 239 = 0.293$$c2024$$dQ2$$eT1
000132167 593__ $$aPhysical and Theoretical Chemistry$$c2024$$dQ1
000132167 593__ $$aComputer Science Applications$$c2024$$dQ1
000132167 593__ $$aInorganic Chemistry$$c2024$$dQ1
000132167 593__ $$aSpectroscopy$$c2024$$dQ1
000132167 593__ $$aOrganic Chemistry$$c2024$$dQ1
000132167 593__ $$aMolecular Biology$$c2024$$dQ2
000132167 593__ $$aCatalysis$$c2024$$dQ2
000132167 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000132167 700__ $$aIoele, Giuseppina
000132167 700__ $$aDe Luca, Michele
000132167 700__ $$aRizzuti, Bruno
000132167 700__ $$aScordamaglia, Domenica
000132167 700__ $$aLappano, Rosamaria
000132167 700__ $$aMaggiolini, Marcello
000132167 700__ $$aGarofalo, Antonio
000132167 700__ $$aGrande, Fedora
000132167 773__ $$g25, 1 (2024), 435 [15 pp.]$$pInt. j. mol. sci.$$tInternational Journal of Molecular Sciences$$x1661-6596
000132167 8564_ $$s4143741$$uhttps://zaguan.unizar.es/record/132167/files/texto_completo.pdf$$yVersión publicada
000132167 8564_ $$s2778825$$uhttps://zaguan.unizar.es/record/132167/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000132167 909CO $$ooai:zaguan.unizar.es:132167$$particulos$$pdriver
000132167 951__ $$a2025-09-22-14:33:43
000132167 980__ $$aARTICLE