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Volume 11, Issue 4 (Vol.11 No.4 Jan 2023)
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Galindo-Hernández O, García-Salazar L A, García-González V G, Díaz-Molina R, Vique-Sánchez J L. Potential Inhibitors of The OTUB1 Catalytic Site to Develop an Anti-Cancer Drug Using In-Silico Approaches. rbmb.net 2023; 11 (4) :684-693
URL: http://rbmb.net/article-1-969-en.html
URL: http://rbmb.net/article-1-969-en.html
Octavio Galindo-Hernández 
, Lizbeth Angelina García-Salazar , Victor Guadalupe García-González , Raúl Díaz-Molina , José Luis Vique-Sánchez *
, Lizbeth Angelina García-Salazar , Victor Guadalupe García-González , Raúl Díaz-Molina , José Luis Vique-Sánchez *
Autonomous University of Baja California, School of Medicine Campus Mexicali, Mexicali, BC, México.
Abstract: (1829 Views)
Background: Cancer continues worldwide. It has been reported that OTUB1, a cysteine protease, plays a critical role in a variety of tumors and is strongly related to tumor proliferation, migration, and clinical prognosis by its functions on deubiquitination. Drug advances continue against new therapeutic targets. In this study we used OTUB1 to develop a specific pharmacological treatment to regulate deubiquitination by OTUB1. The aim of this research is to regulate OTUB1 functions.
Methods: By molecular docking in a specific potential OTUB1 interaction site between Asp88, Cys91, and His26 amino acids, using a chemical library of over 500,000 compounds, we selected potential inhibitors of the OTUB1 catalytic site.
Results: Ten compounds (OT1 - OT10) were selected by molecular docking to develop a new anti-cancer drug to decrease OTUB1 functions in cancer processes.
Conclusions: OT1 – OT10 compounds could be interacting in the potential site between Asp88, Cys91, and His265 amino acids in OTUB1. This site is necessary for the deubiquitinating function of OTUB1. Therefore, this study shows another way to attack cancer.
Methods: By molecular docking in a specific potential OTUB1 interaction site between Asp88, Cys91, and His26 amino acids, using a chemical library of over 500,000 compounds, we selected potential inhibitors of the OTUB1 catalytic site.
Results: Ten compounds (OT1 - OT10) were selected by molecular docking to develop a new anti-cancer drug to decrease OTUB1 functions in cancer processes.
Conclusions: OT1 – OT10 compounds could be interacting in the potential site between Asp88, Cys91, and His265 amino acids in OTUB1. This site is necessary for the deubiquitinating function of OTUB1. Therefore, this study shows another way to attack cancer.
Type of Article: Original Article |
Subject:
Molecular Biology
Received: 2022/06/9 | Accepted: 2022/06/24 | Published: 2023/04/3
Received: 2022/06/9 | Accepted: 2022/06/24 | Published: 2023/04/3
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