PDF(Pubmed)
Abstract：
Pyridine, a compound with a heterocyclic structure, is a key player in medicinal chemistry and drug design. It is widely used as a framework for the design of biologically active molecules and is the second most common heterocycle in FDA-approved drugs. Pyridine is known for its diverse biological activity, including antituberculosis, antitumor, anticoagulant, antiviral, antimalarial, antileishmania, anti-inflammatory, anti-Alzheimer\'s, antitrypanosomal, antimalarial, vasodilatory, antioxidant, antimicrobial, and antiproliferative effects. This review, spanning from 2022 to 2012, involved the meticulous identification of pyridine derivatives with antiproliferative activity, as indicated by their minimum inhibitory concentration values (IC50) against various cancerous cell lines. The aim was to determine the most favorable structural characteristics for their antiproliferative activity. Using computer programs, we constructed and calculated the molecular descriptors and analyzed the electrostatic potential maps of the selected pyridine derivatives. The study found that the presence and positions of the -OMe, -OH, -C=O, and NH2 groups in the pyridine derivatives enhanced their antiproliferative activity over the cancerous cellular lines studied. Conversely, pyridine derivatives with halogen atoms or bulky groups in their structures exhibited lower antiproliferative activity.
摘要：
吡啶,具有杂环结构的化合物，是药物化学和药物设计的关键参与者。它被广泛用作设计生物活性分子的框架，并且是FDA批准的药物中第二常见的杂环。吡啶以其多样化的生物活性而闻名，包括抗结核药,抗肿瘤，抗凝剂,抗病毒，抗疟药,反利什曼原虫,抗炎,抗阿尔茨海默氏症，抗锥虫,抗疟药,血管舒张,抗氧化剂，抗菌，和抗增殖作用。这次审查,从2022年到2012年，涉及到具有抗增殖活性的吡啶衍生物的细致鉴定，如它们对各种癌细胞系的最小抑制浓度值(IC50)所示。目的是确定其抗增殖活性的最有利的结构特征。使用计算机程序，我们构建并计算了分子描述符，并分析了所选吡啶衍生物的静电势图。研究发现-OMe的存在和位置，-哦,-C=O,与所研究的癌细胞系相比，吡啶衍生物中的NH2基团增强了其抗增殖活性。相反，在其结构中具有卤素原子或庞大基团的吡啶衍生物表现出较低的抗增殖活性。
