Identification of new insulin growth factor receptor-1 (IGF-1R) inhibitors via exploring ATPas kinase domain of IGF-1R through virtual screening

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• 作者：Mansi Garg ; Monika Chauhan ; Raj Kumar
• 关键词：IGF ; 1R ; IGF ; 1R inhibitors ; Virtual Screening ; Molecular docking ; Anticancer activity
• 刊名：Medicinal Chemistry Research
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：26
• 期：1
• 页码：205-219
• 全文大小：
• 刊物主题：Pharmacology/Toxicology; Biochemistry, general; Cell Biology;
• 出版者：Springer US
• ISSN：1554-8120
• 卷排序：26

文摘

Insulin growth factor receptor-1 is a trans-membrane tyrosine kinase receptor that mediates the polypeptide protein hormone insulin growth factor-1, responsible for normal function and growth of human cells. The overexpression of insulin growth factor receptor-1 has been associated with a variety of cancers. A number of small molecule inhibitors of insulin growth factor receptor-1 are discovered by various researchers but all of them get failed in preclinical trials due to less potency and resistance. In the present paper, we have identified new insulin growth factor receptor-1 inhibitors through virtual screening based on ATPase kinase domain having phosphate, sugar and hydrophobic regions lined with amino acid residues such as Asp 1150, Lys 1003, Phe 1124 and Lys 1033. A total of 7659 compounds were selected from PubChem database. Then on applying, the rule of five, 4482 compounds were enlisted and downloaded. Further on performing high throughput virtual screening, standard precision and extra precision three best scoring compounds were identified, which could be taken further for drug development.