Record Details

<p style="text-align: justify;">Identification of chalcone derivatives as putative non-steroidal aromatase inhibitors potentially useful against breast cancer by molecular docking and ADME prediction</p>

Online Publishing @ NISCAIR

View Archive Info
 
 
Field Value
 
Authentication Code dc
 
Title Statement <p style="text-align: justify;">Identification of chalcone derivatives as putative non-steroidal aromatase inhibitors potentially useful against breast cancer by molecular docking and ADME prediction</p>
 
Added Entry - Uncontrolled Name Shah, Umang ; CHARUSAT UNIVERSITY
Patel, Samir
Patel, Mehul
Gandhi, Karan
Patel, Ashish
 
Uncontrolled Index Term Aromatase, molecular docking, chalcones, breast cancer, ADME
 
Summary, etc. <p style="text-align: justify;">Aromatase is an influential target to overcome estrogen receptor positive breast cancer, as the enzyme is responsible for conversion of androstenedione to estrone, a promising drug target for therapeutic management of breast cancer. Chalcones are prominent biosynthetic compounds and parent candidate for the synthesis of heterocycles with diversified biological activities. The prime objective of the present study is to evaluate the binding interaction of 2-hydroxyphenyl- prop-2-en-1-one (1A-1X), 2-hydroxy-4-methoxyphenyl- prop-2-en-1-one (3A-3X), 2,4-dihydroxyphenyl- prop-2-en-1-one (9A-9X) and 1-hydroxynaphthalen-2-yl-prop-2-en-1-one (5A-5X) derivatives with aromatase enzyme by molecular docking study and also check their ADME properties by maestro suit. The designed chalcones derivatives have been docked against our target protein with PDB id 3S7S retrieved from the protein data bank, whereas exemestane has been taken as the positive control. As docking data revealed that docking score of 1K, 1U, 1B 3K 3N, 5K, 5U, 9S, 9K, 9N and 9F compounds found less than exemestane and all of these compounds with appropriate ADME properties have proven their excellent absorption as well as solubility characteristics. The present findings provided valuable information about binding interactions of chalcones derivatives to the active site of aromatase. These compounds may serve as potential lead compound for developing new aromatase inhibitors in breast cancer treatment.</p>
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section B (IJC-B)
2020-02-11 16:52:26
 
Electronic Location and Access application/pdf
http://op.niscair.res.in/index.php/IJCB/article/view/27865
 
Data Source Entry Indian Journal of Chemistry -Section B (IJC-B); ##issue.vol## 59, ##issue.no## 2 (2020): Indian Journal of Chemistry -Section B
 
Language Note en
 
Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCB/article/download/27865/465485975
 
Terms Governing Use and Reproduction Note Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India© 2015. The Council of Scientific &amp; Industrial Research, New Delhi.