Abstract：
OBJECTIVE: IBD is a chronic idiopathic gut condition characterised by recurring and remitting inflammation of the colonic mucosal epithelium. Benzimidazole is a prominent and attractive heterocyclic compound with diverse actions. Although seven locations in the benzimidazole nucleus can be changed with a number of chemical entities for biological activity, benzimidazole fused with a phenyl ring has caught our interest.
METHODS: To find and optimize novel 1-H phenyl benzimidazole compounds with favorable physicochemical features and drug-like characteristics for the treatment of IBD, in-silico studies and in-vitro approach were being used to identify and optimize these derivatives as potent inhibitors of IL-23 mediated inflammatory signaling pathway.
RESULTS: All six compounds exhibit favorable drug-like properties with good intestinal absorption properties. Its high affinity for the target JAK and TYK, which is thought to be a key immunological signaling cascade in the pathophysiology of IBD, is revealed by docking studies.
CONCLUSIONS: Because of their effects on decreasing iNOS-derived NO release and IL-23-mediated immune signaling by decreasing COX-2 and LOX activity, it\'s conceivable that the compounds CS3 and CS6 are better options for the treatment of IBD based on in-vitro cell line investigations.
METHODS: To find and optimize novel 1-H phenyl benzimidazole compounds with favorable physicochemical features and drug-like characteristics for the treatment of IBD, in-silico studies and in-vitro approach were being used to identify and optimize these derivatives as potent inhibitors of IL-23 mediated inflammatory signaling pathway.
RESULTS: All six compounds exhibit favorable drug-like properties with good intestinal absorption properties. Its high affinity for the target JAK and TYK, which is thought to be a key immunological signaling cascade in the pathophysiology of IBD, is revealed by docking studies.
CONCLUSIONS: Because of their effects on decreasing iNOS-derived NO release and IL-23-mediated immune signaling by decreasing COX-2 and LOX activity, it\'s conceivable that the compounds CS3 and CS6 are better options for the treatment of IBD based on in-vitro cell line investigations.
摘要：
背景：炎症性肠病（IBD）是一种慢性特发性肠道疾病，其特征是结肠粘膜上皮的复发性和缓解性炎症。苯并咪唑是一种具有多种作用的突出和有吸引力的杂环化合物。虽然苯并咪唑核中的七个位置可以用许多化学实体改变生物活性，与苯环稠合的苯并咪唑引起了我们的兴趣。
方法：为了找到并优化具有良好物理化学特征和药物样特征的新型1-H苯基苯并咪唑化合物，用于治疗IBD，采用计算机模拟研究和体外方法鉴定和优化这些衍生物作为白细胞介素-23(IL-23)介导的炎症信号通路的有效抑制剂.
结论：所有六种化合物均表现出良好的药物样特性，并具有良好的肠吸收特性。其对靶Janus激酶（JAK）和酪氨酸激酶（TYK）的高亲和力，这被认为是IBD病理生理学中的关键免疫信号级联，对接研究揭示了这一点。
结论：由于它们通过降低环氧合酶-2（COX-2）和脂氧合酶（LOX）活性来降低诱导型一氧化氮合酶（iNOS）衍生的细胞腈（NO）释放和IL-23介导的免疫信号，根据体外细胞系研究，可以想象化合物CS3和CS6是治疗IBD的更好选择。
方法：为了找到并优化具有良好物理化学特征和药物样特征的新型1-H苯基苯并咪唑化合物，用于治疗IBD，采用计算机模拟研究和体外方法鉴定和优化这些衍生物作为白细胞介素-23(IL-23)介导的炎症信号通路的有效抑制剂.
结论：所有六种化合物均表现出良好的药物样特性，并具有良好的肠吸收特性。其对靶Janus激酶（JAK）和酪氨酸激酶（TYK）的高亲和力，这被认为是IBD病理生理学中的关键免疫信号级联，对接研究揭示了这一点。
结论：由于它们通过降低环氧合酶-2（COX-2）和脂氧合酶（LOX）活性来降低诱导型一氧化氮合酶（iNOS）衍生的细胞腈（NO）释放和IL-23介导的免疫信号，根据体外细胞系研究，可以想象化合物CS3和CS6是治疗IBD的更好选择。
