Potential Papain-like Protease Inhibitors Against COVID-19: A Comprehensive In Silico Based Review

被引：3

作者：

Agrawal, Neetu ^{[1
]}

Pathak, Shilpi ^{[1
]}

Goyal, Ahsas ^{[1
]}

机构：

[1] GLA Univ, Pharmaceut Res Inst, Mathura 281406, Uttar Pradesh, India

来源：

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING | 2022年 / 25卷 / 11期

关键词：

COVID-19; SARS-CoV-2; Papain-like protease; PLpro; in silico; molecular docking;

D O I：

10.2174/1386207325666211122123602

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The entire world has been in a battle against the COVID-19 pandemic since its first appearance in December 2019. Thus researchers are desperately working to find an effective and safe therapeutic agent for its treatment. The multifunctional coronavirus enzyme papain-like protease (PLpro) is a potential target for drug discovery to combat the ongoing pandemic responsible for cleavage of the polypeptide, deISGylation, and suppression of host immune response. The present review collates the in silico studies performed on various FDA-approved drugs, chemical compounds, and phytochemicals from various drug databases and represents the compounds possessing the potential to inhibit PLpro. Thus this review can provide quick access to a potential candidate to medicinal chemists to perform in vitro and in vivo experiments who are thriving to find the effective agents for the treatment of COVID-19.

引用

页码：1838 / 1858

页数：21

共 31 条

[1] Antiviral potential of some novel structural analogs of standard drugs repurposed for the treatment of COVID-19 [J].

AlAjmi, Mohamed F. ;

Azhar, Asim ;

Owais, Mohd ;

Rashid, Summya ;

Hasan, Sadaf ;

Hussain, Afzal ;

Rehman, Md Tabish .

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2021, 39 (17) :6676-6688

[2] The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds [J].

Baez-Santos, Yahira M. ;

St John, Sarah E. ;

Mesecar, Andrew D. .

ANTIVIRAL RESEARCH, 2015, 115 :21-38

[3] Screening of potential drug from Azadirachta Indica (Neem) extracts for SARS-CoV-2: An insight from molecular docking and MD-simulation studies [J].

Baildya, Nabajyoti ;

Khan, Abdul Ashik ;

Ghosh, Narendra Nath ;

Dutta, Tanmoy ;

Chattopadhyay, Asoke P. .

JOURNAL OF MOLECULAR STRUCTURE, 2021, 1227 (1227)

[4]

Balkrishna A., 2020, CURR PHARM BIOTECHNO, V21, P1

[5] Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19 [J].

Bhati, Shipra .

HELIYON, 2020, 6 (11)

[6] Insights Into Dynamics of Inhibitor and Ubiquitin-Like Protein Binding in SARS-CoV-2 Papain-Like Protease [J].

Bosken, Yuliana K. ;

Cholko, Timothy ;

Lou, Yuan-Chao ;

Wu, Kuen-Phon ;

Chang, Chia-en A. .

FRONTIERS IN MOLECULAR BIOSCIENCES, 2020, 7

[7] In silicoDrug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Consensus Ranking [J].

Cavasotto, Claudio N. ;

Di Filippo, Juan I. .

MOLECULAR INFORMATICS, 2021, 40 (01)

[8] Repurposing Known Drugs as Covalent and Non-covalent Inhibitors of the SARS-CoV-2 Papain-Like Protease [J].

Delre, Pietro ;

Caporuscio, Fabiana ;

Saviano, Michele ;

Mangiatordi, Giuseppe Felice .

FRONTIERS IN CHEMISTRY, 2020, 8

[9] Molecular docking studies, molecular dynamics and ADME/tox reveal therapeutic potentials of STOCK1N-69160 against papain-like protease of SARS-CoV-2 [J].

Elekofehinti, Olusola Olalekan ;

Iwaloye, Opeyemi ;

Josiah, Sunday Solomon ;

Lawal, Akeem Olalekan ;

Akinjiyan, Moses Orimoloye ;

Ariyo, Esther Opeyemi .

MOLECULAR DIVERSITY, 2021, 25 (03) :1761-1773

[10] Crystal structure of SARS-CoV-2 papain-like protease [J].

Gao, Xiaopan ;

Qin, Bo ;

Chen, Pu ;

Zhu, Kaixiang ;

Hou, Pengjiao ;

Wojdyla, Justyna Aleksandra ;

Wang, Meitian ;

Cui, Sheng .

ACTA PHARMACEUTICA SINICA B, 2021, 11 (01) :237-245

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