Molecular docking unveils prospective inhibitors for the SARS-COV-2 main protease

Molecular docking unveils prospective inhibitors for the SARS-COV-2 main protease

The recent emergence of a novel coronavirus strain (SARS-CoV-2) has stimulated global efforts to identify potential drugs that target proteins expressed by this novel coronavirus. Among these, the main protease of SARS-CoV-2 (3CL-protease (3CLPro), also known as (MPro) is one of the best choices for...

Full description

Bibliographic Details
Main Authors:	Ahmad, Fawad (Author), Ikram, Saima (Author), Ahmad, Jamshaid (Author), ur Rehman, Irshad (Author), Khattak, Saeed Ullah (Author), Butt, Sadia (Author), Mushtaq, Maryam (Author)
Format:	Article
Language:	English
Published:	Penerbit Universiti Kebangsaan Malaysia, 2021-05.
Online Access:	Get fulltext

Similar Items

SARS-CoV-2 RNA Dependent RNA polymerase (RdRp) – A drug repurposing study
by: Jamshaid Ahmad, et al.
Published: (2020-07-01)

Phytochemicals of Rhus spp. as Potential Inhibitors of the SARS-CoV-2 Main Protease: Molecular Docking and Drug-Likeness Study
by: Yousery E. Sherif, et al.
Published: (2021-01-01)

Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study
by: Shafi Mahmud, et al.
Published: (2021-09-01)

Molecular Docking of Novel 5-O-benzoylpinostrobin Derivatives as SARS-CoV-2 Main Protease Inhibitors
by: Mohammad Rizki Fadhil Pratama, et al.
Published: (2020-11-01)

Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
by: Deeba Shamim Jairajpuri, et al.
Published: (2021-04-01)

In silico molecular docking analysis for repurposing approved antiviral drugs against SARS-CoV-2 main protease
by: Ibrahim Khater, et al.
Published: (2021-09-01)

Prediction of Asiatic Acid Derivatives Affinity Against SARS-CoV-2 Main Protease Using Molecular Docking
by: Ida Musfiroh, et al.
Published: (2020-07-01)

Prediction of SARS-CoV-2 main protease inhibitors in medicinal plant-derived compounds by molecular docking approach
by: Sayma Farabi, et al.

Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies.
by: Sabri Ahmed Cherrak, et al.
Published: (2020-01-01)

Identification of Potential Flavonoid Inhibitors of the SARS-CoV-2 Main Protease 6YNQ: A Molecular Docking Study
by: Sumit Arora, et al.
Published: (2020-12-01)

Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition
by: Aleix Gimeno, et al.
Published: (2020-05-01)

Docking Characterization and in vitro Inhibitory Activity of Flavan-3-ols and Dimeric Proanthocyanidins Against the Main Protease Activity of SARS-Cov-2
by: Yue Zhu, et al.
Published: (2020-11-01)

Synthesis of SARS-CoV-2 Main Protease Inhibitors
by: Elfström, Mia
Published: (2021)

The synthesis of main protease inhibitorsagainst SARS-CoV-2
by: Flygare, Agnes
Published: (2021)

Potential of Plant Bioactive Compounds as SARS-CoV-2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study
by: Trina Ekawati Tallei, et al.
Published: (2020-01-01)

In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing
by: Yogesh Kumar, et al.
Published: (2020-09-01)

Inhibition Potencies of Phytochemicals Derived from Sesame Against SARS-CoV-2 Main Protease: A Molecular Docking and Simulation Study
by: Anuj Kumar, et al.
Published: (2021-10-01)

Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study
by: Marimuthu Ragavan Rameshkumar, et al.
Published: (2021-01-01)

Analysis of the efficacy of HIV protease inhibitors against SARS-CoV-2′s main protease
by: Mohamed Mahdi, et al.
Published: (2020-11-01)

Biochemical screening for SARS-CoV-2 main protease inhibitors.
by: Camila Coelho, et al.
Published: (2020-01-01)

Designing Inhibitors for the SARS CoV Main Protease as Anti-SARS Drugs
by: Hamza Bari, et al.
Published: (2020-12-01)

The Possible Molecular Mechanism of SARS-CoV-2 Main Protease: New Structural Insights from Computational Methods
by: Alvea Tasneem, et al.
Published: (2021-01-01)

Docking Study of Naringin Binding with COVID-19 Main Protease Enzyme
by: Narmin H. Amin Huseen
Published: (2020-12-01)

Identification of Host Cellular Protein Substrates of SARS-COV-2 Main Protease
by: Márió Miczi, et al.
Published: (2020-12-01)

Computational Prediction of Potential Inhibitors of the Main Protease of SARS-CoV-2
by: Renata Abel, et al.
Published: (2020-12-01)

Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
by: Alice Douangamath, et al.
Published: (2020-10-01)

Phytochemicals from <i>Leucas zeylanica</i> Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations
by: Mycal Dutta, et al.
Published: (2021-08-01)

Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT, QSAR, molecular docking, and in silico toxicity analysis
by: Ranjan K. Mohapatra, et al.
Published: (2021-03-01)

Non-conventional interactions of N3 inhibitor with the main protease of SARS-CoV and SARS-CoV-2
by: Ponciano García-Gutiérrez, et al.
Published: (2021-01-01)

ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19
by: Zeynab Fakhar, et al.
Published: (2021-01-01)

A genetic trap in yeast for inhibitors of SARS-CoV-2 main protease
by: Alalam, H., et al.
Published: (2021)

In silico Study of Pharmacological Treatments against SARS-CoV2 Main Protease
by: Youness Kadil, et al.
Published: (2020-05-01)

Structural Basis of Potential Inhibitors Targeting SARS-CoV-2 Main Protease
by: Hylemariam Mihiretie Mengist, et al.
Published: (2021-03-01)

Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives
by: Kangsa Amporndanai, et al.
Published: (2021-05-01)

SARS-CoV-2 Main Protease Active Site Ligands in the Human Metabolome
by: Anna Maria Sardanelli, et al.
Published: (2021-03-01)

Discovery of 2-thiobenzimidazoles as noncovalent inhibitors of SARS-CoV-2 main protease
by: Asad, N., et al.
Published: (2022)

In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus
by: Phaedra Eleftheriou, et al.
Published: (2020-05-01)

Raltegravir, Indinavir, Tipranavir, Dolutegravir, and Etravirine against main protease and RNA-dependent RNA polymerase of SARS-CoV-2: A molecular docking and drug repurposing approach
by: Purushothaman Indu, et al.
Published: (2020-12-01)

Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease
by: Luca Pinzi, et al.
Published: (2021-02-01)

Synthesis of SARS-CoV Main Protease Inhibitors by Using Passerini Reaction as Key Step
by: 陳彥男
Published: (2006)

Cannot write session to /tmp/vufind_sessions/sess_fc5r2jk0o57mnf7pstdir2dnhg