数字农科院2.0

Steroidal Alkaloids Efficient Aromatase Inhibitors W.ith Potential For The T reatment Of Postmenopausal Breast Cancer

文献类型: 外文期刊

作者: Ali, Hamid;Ali, Ijaz;Jan, Naeem Ullah;Kifayatullah, Muhammad;Rahim, Haroon;Ali, Abid;Ali, Amjad;Khan, Imtiaz Ali;Ali, Safdar;Jahan, Azra;Ahmad, Bashir;Amin, Fazli;Samrana, Samrana

作者机构:

关键词: aromatase inhibitor; molecular docking; steroidal alkaloids

期刊名称: CHEMICAL BIOLOGY & DRUG DESIGN

ISSN: 1747-0277

年卷期: 2019 年

页码:

摘要: Plant-derived natural products are of great interest due to their diversity in modern drug discovery. Sarcococca saligna has been used for the treatment of different diseases. The present study was aimed at isolating phytochemical constituents including Alkaloid-C (a), Dictyophlebine (b), Sarcovagine-D (c) and Saracodine (d) Holaphylline (e) from Sarcococca saligna to investigate the anticancer effect of these compounds. These compounds were evaluated for inhibition of aromatase enzyme of breast cancer in assistance by molecular docking simulations to understand molecular interaction between the enzyme and ligands. The IC50 values of compound 1 and 5 were found 138.27 +/- 0.01 mu l and 12.91 +/- 0.01 mu l, respectively, and both were found active due to their bulky structures in comparison to the active site of aromatase enzyme. The standard drug exemestane showed potent activity in comparison with the test compounds, having IC50 values of 0.052 +/- 0.01 mu l. Both compounds showed favorable electrostatic interactions with the active site of aromatase enzyme but the shape and steric bulk of the compounds was the limiting factor in their inhibitory effects. New lead compounds could be generated after extensive modifications guided by computational and experimental tools as a possible anticancer agents by targeting aromatase enzyme.

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