Saxena Garima, Akhtar Salman, Sharma Neha, Sharma Mala, Siddiqui M Haris, Khan M Kalim A
Department of Bioengineering, Integral University, Lucknow, India.
Advanced Centre of Bioengineering and Bioinformatics, Integral Information and Research Centre, Integral University, Lucknow, India.
Bioinformation. 2019 Sep 30;15(9):613-620. doi: 10.6026/97320630015613. eCollection 2019.
Screening of phytochemicals for their anti angiogenic potential has been a growing area of research in the current decade. The following study proposes virtual screening, drug likeliness and ADME filtering of specific phytochemical based compounds retrieved from "TIP - A Database of Taiwan Indigenous Plants". The study further subjects the filtered phytochemicals for their molecular docking analysis and molecular dynamics simulation studies against the prominent receptor tyrosine kinases EGFR, VEGFR-1 and VEGFR-2 involved in angiogenesis phenomenon. Among the various in silico analysis done and precise interpretations, the current study finally proposes 1- Hydroxycryprochine as one of the most potent lead in combating angiogenic phenomenon and thus cancer. The following study involves all such important use of in silico platforms, tools and analysis protocols which are expected to reproduce commendable results in wet lab studies. The proposed compound 1-hydroxycryprochine tends to justify its anti angogenic potential in all interactional and stability studies.
在当前十年中，筛选具有抗血管生成潜力的植物化学物质一直是一个不断发展的研究领域。以下研究提出了对从“台湾本土植物数据库TIP”中检索到的特定植物化学物质类化合物进行虚拟筛选、药物相似性和ADME筛选。该研究进一步对筛选出的植物化学物质进行分子对接分析和分子动力学模拟研究，以针对参与血管生成现象的主要受体酪氨酸激酶EGFR、VEGFR-1和VEGFR-2。在进行的各种计算机模拟分析和精确解释中，当前研究最终提出1-羟基隐品碱是对抗血管生成现象进而对抗癌症的最有效先导物之一。以下研究涉及计算机模拟平台、工具和分析方案的所有此类重要应用，预计这些应用将在湿实验室研究中产生值得称赞的结果。所提出的化合物1-羟基隐品碱在所有相互作用和稳定性研究中都倾向于证明其抗血管生成潜力。
