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乳腺癌抑制剂在糖尿病中的作用——一种计算机模拟方法。

Role of breast cancer inhibitors on diabetes mellitus- an in silico approach.

作者信息

Rampogu Shailima Dv

机构信息

Department of Biochemistry, Cachet Labs, Hyderabad, Telangana, India.

出版信息

J Diabetes Metab Disord. 2015 Mar 17;14:11. doi: 10.1186/s40200-015-0138-1. eCollection 2015.

Abstract

BACKGROUND

Breast cancer and diabetes mellitus type-2 are two of the major diseases, which cause death to the women worldwide. Around 16% of the breast cancer patients also suffer from diabetes mellitus. It has been noted that the risk of occurrence of the breast cancer is more in patients suffering from diabetes mellitus.

METHODS

Owing to this, the present article deals with an objective of using the breast cancer inhibitors for the diabetes drug target- 1ADS. Ten breast cancer inhibitors were drawn using Marvin Sketch. The docking was performed using Molegro software (Molegro Virtual Docker, MVD).

RESULTS

The docking wizard generated 50 poses with the highest Mol Dock score -131.649.

CONCLUSION

This investigation successfully evaluated the effect of breast cancer inhibitors on diabetes mellitus, providing a new dimension in endocrine research.

摘要

背景

乳腺癌和2型糖尿病是导致全球女性死亡的两大主要疾病。约16%的乳腺癌患者也患有糖尿病。据观察,糖尿病患者患乳腺癌的风险更高。

方法

鉴于此,本文探讨了将乳腺癌抑制剂用于糖尿病药物靶点1ADS的目标。使用Marvin Sketch绘制了10种乳腺癌抑制剂。使用Molegro软件(Molegro Virtual Docker,MVD)进行对接。

结果

对接向导生成了50个构象,最高Mol Dock评分为-131.649。

结论

本研究成功评估了乳腺癌抑制剂对糖尿病的影响,为内分泌研究提供了新的维度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4492/4372166/c8b8194a2e13/40200_2015_138_Fig1_HTML.jpg

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