M. Hamza, Azhar Mahmood, Sajid Khan, Muhammad Rizwan, Anum Munir
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引用次数: 4
摘要
p53也被称为肿瘤抑制基因,参与多种细胞过程和信号通路。几乎所有类型的癌症都与P53突变有关,目前有几种针对P53突变的治疗方法,但都有一些局限性。尽管如此,我们仍然需要更好的药物。计算方法是新兴的和有益的工具来指导和解释实验,以加快药物设计过程。本研究旨在设计一种靶向p53 Ser121和Val122突变的药物。该化合物通过虚拟筛选和几种类似药物的过滤器被识别出来。所鉴定的化合物被认为是无毒的。ADMET性质和药代动力学也描述了该化合物的有效性。本研究结果表明,该化合物可用于治疗p53突变,并在实验室中成功合成,以确定其充分性和有效性。双-(4-氯苯基)甲基- blah化合物可作为p53 Ser 121和Val 122突变的强抑制剂。
Design and Synthesis of Novel Inhibitor against Ser121 and Val122 Mutations in P53 Cancer Gene
The p53 is also known as a tumor suppressor gene, involved in a variety of cellular processes and signaling pathways. p53 mutations are involved in almost all kinds of cancers, and several treatments are available for p53 mutations but have a number of limitations. Still, there is a need for better drugs. Computational methods are emerging and beneficial tools to guide and interpret experiments to fasten the drug design process. This study was undertaken to design a drug that targets p53 Ser121 and Val122 mutations. The compound was identified through virtual screening and several drug-like filters were applied. The identified compound is considered to be non-toxic in nature. ADMET properties and pharmacokinetics of the compound also describe the effectiveness of the compound. The results of this study, suggest that this compound can be used to treat p53 mutations and the compound is synthesized successfully in the lab to determine its adequacy and efficacy. Bis-(4-chlorophenyl)methyl-BLAH compound can be used as a strong inhibitor of p53 Ser 121 and Val 122 mutations.