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Title

Molecular docking studies on xanthohumol derivatives as novel ‎anticancer agents ‎

Year: 1398
COI: JR_ICC-7-4_009
Language: EnglishView: 276
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Authors

Mohsen Oftadeh - Chemistry Department, Payame Noor University, ۱۹۳۹۵-۴۶۹۷ Tehran, Iran
Masood Fereidoonnezhad - ‎Research Center of Marine Pharmaceutical Science, Ahvaz Jundishahpour University of Medical Science, Ahvaz, ‎Iran
Mina Aliyan - Payame Noor University
Fariba Aliyan - ‎۳Department of Medicinal Chemistry, School of Pharmacy, Ahvaz Jundishapur University of Medical Sciences, ‎Ahvaz, Iran

Abstract:

A set of Xanthohumol derivatives were selected and molecular docking studies of these ‎compounds on thioredoxin reductase were conducted. Based on new structural patterns using in ‎silico-screening study, new potent lead compounds were designed. The results due to validated ‎docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, ‎Val44 and Gly132 are the main amino acids in the active site cavity in charge of essential ‎interactions with thioredoxin reductase.‎

Keywords:

Paper COI Code

This Paper COI Code is JR_ICC-7-4_009. Also You can use the following address to link to this article. This link is permanent and is used as an article registration confirmation in the Civilica reference:

https://civilica.com/doc/896893/

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Oftadeh, Mohsen and Fereidoonnezhad, Masood and Aliyan, Mina and Aliyan, Fariba,1398,Molecular docking studies on xanthohumol derivatives as novel ‎anticancer agents ‎,https://civilica.com/doc/896893

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