García-Aranda Mónica I, Gonzalez-Padilla Jazmin E, Gómez-Castro Carlos Z, Gómez-Gómez Yolanda M, Rosales-Hernández Martha C, García-Báez Efrén V, Franco-Hernández Marina O, Castrejón-Flores José L, Padilla-Martínez Itzia I
Laboratorio de Química Supramolecular y Nanociencias, Unidad Profesional Interdisciplinaria de Biotecnología del Instituto Politécnico Nacional, Av. Acueducto s/n Barrio la Laguna Ticomán, Ciudad de México 07340, Mexico City, Mexico.
Laboratorio de Biofísica y Biocatálisis, Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina del Instituto Politécnico Nacional, Plan de San Luis y Díaz Mirón s/n, Casco de Santo Tomás, 11340 Mexico City, Mexico.
Bioorg Med Chem. 2020 May 1;28(9):115427. doi: 10.1016/j.bmc.2020.115427. Epub 2020 Mar 21.
Being the base of several non-communicable diseases, including cancer, inflammation is a complex process generated by tissue damage or change in the body homeostatic state. Currently, the therapeutic treatment for chronic inflammation related diseases is based on the use of selective cyclooxygenase II enzyme, COX-2, inhibitors or Coxibs, which have recently regained attention giving their preventive role in colon cancer. Thus, the discovery of new molecules that selectively inhibit COX-2 and other inflammatory mediators is a current challenge in the medicinal chemistry field. 1-Phenylbenzimidazoles have shown potential COX inhibitory activity, because they can reproduce the interaction profile of known COX inhibitors. Therefore, in the present investigation a series of 1,2-diphenylbenzimidazoles (DPBI) with different aromatic substitutions in the para position were synthesized and their interaction with COX-2 and nitric oxide synthase, iNOS, was determined in silico, in vitro and in vivo. Compound 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazole showed the best inhibition towards COX-2, while compounds N-(4-(2-(4-bromophenyl)-1H-benzo[d]imidazol-1-yl)phenyl)acetamide and N-(4-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl)phenyl)acetamide diminished the production of NO in vitro. Additionally, they had a significant anti-inflammatory activity in vivo when given orally.
炎症是包括癌症在内的多种非传染性疾病的基础,是由组织损伤或身体稳态状态变化产生的复杂过程。目前,针对慢性炎症相关疾病的治疗方法基于使用选择性环氧化酶II(COX-2)抑制剂或昔布类药物,这些药物因其在结肠癌中的预防作用最近重新受到关注。因此,发现选择性抑制COX-2和其他炎症介质的新分子是药物化学领域当前的一项挑战。1-苯基苯并咪唑已显示出潜在的COX抑制活性,因为它们可以重现已知COX抑制剂的相互作用模式。因此,在本研究中,合成了一系列在对位具有不同芳基取代的1,2-二苯基苯并咪唑(DPBI),并通过计算机模拟、体外和体内实验确定了它们与COX-2和一氧化氮合酶(iNOS)的相互作用。化合物2-(4-溴苯基)-1-(4-硝基苯基)-1H-苯并[d]咪唑对COX-2表现出最佳抑制作用,而化合物N-(4-(2-(4-溴苯基)-1H-苯并[d]咪唑-1-基)phenyl)乙酰胺和N-(4-(2-(4-氯苯基)-1H-苯并[d]咪唑-1-基)phenyl)乙酰胺在体外减少了NO的产生。此外,口服给药时它们在体内具有显著的抗炎活性。