Cargando…

A machine learning regression model for the screening and design of potential SARS-CoV-2 protease inhibitors

The widespread infection caused by the 2019 novel corona virus (SARS-CoV-2) has initiated global efforts to search for antiviral agents. Drug discovery is the first step in the development of commercially viable pharmaceutical products to deal with novel diseases. In an effort to accelerate the scre...

Descripción completa

Detalles Bibliográficos
Autores principales:	Janairo, Gabriela Ilona B., Yu, Derrick Ethelbhert C., Janairo, Jose Isagani B.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer Vienna 2021
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8308067/ https://www.ncbi.nlm.nih.gov/pubmed/34336544 http://dx.doi.org/10.1007/s13721-021-00326-2

Ejemplares similares

A Machine Learning Classification Model for Gold-Binding Peptides
por: Janairo, Jose Isagani B.
Publicado: (2022)

Data on the sequence-derived properties of gastric cancer – binding peptides
por: Janairo, Jose Isagani B., et al.
Publicado: (2020)

Sequence rules for gold-binding peptides
por: Janairo, Jose Isagani B.
Publicado: (2023)

Bilayer Hydrogel Composed of Elastin-Mimetic Polypeptides as a Bio-Actuator with Bidirectional and Reversible Bending Behaviors
por: Kamada, Rui, et al.
Publicado: (2023)

Oligomerization enhances the binding affinity of a silver biomineralization peptide and catalyzes nanostructure formation
por: Sakaguchi, Tatsuya, et al.
Publicado: (2017)

Association of metabolic‐associated fatty liver disease and risk of severe coronavirus disease 2019 illness
por: Sy‐Janairo, Marianne Linley, et al.
Publicado: (2020)

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

The Power of an Active Shooter Simulation: Changing Ethical Beliefs
por: Janairo, Maria-Pamela, et al.
Publicado: (2021)

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

Design, synthesis and in silico screening of benzoxazole–thiazolidinone hybrids as potential inhibitors of SARS-CoV-2 proteases
por: Krishna Cheerala, Vijay Sai, et al.
Publicado: (2021)

Screening, Synthesis and Biochemical Characterization of SARS-CoV-2 Protease Inhibitors
por: Bagdonas, Martynas, et al.
Publicado: (2023)

Fragment-based inhibitor design for SARS-CoV2 main protease
por: Andola, Priyanka, et al.
Publicado: (2022)

Targeting the Main Protease of SARS‐CoV‐2: From the Establishment of High Throughput Screening to the Design of Tailored Inhibitors
por: Breidenbach, Julian, et al.
Publicado: (2021)

Plant-Based Phytochemical Screening by Targeting Main Protease of SARS-CoV-2 to Design Effective Potent Inhibitors
por: Mahmud, Shafi, et al.
Publicado: (2021)

Screening and evaluation of approved drugs as inhibitors of main protease of SARS-CoV-2
por: Tripathi, Praveen Kumar, et al.
Publicado: (2020)

Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors
por: Mekni, Nedra, et al.
Publicado: (2021)

Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors
por: Shcherbakov, Dmitriy, et al.
Publicado: (2021)

Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
por: Wang, Liying, et al.
Publicado: (2022)

Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics
por: Gomes, Isabela de Souza, et al.
Publicado: (2022)

Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors
por: Jiménez-Alberto, Alicia, et al.
Publicado: (2020)

Screening of drugs by FRET analysis identifies inhibitors of SARS-CoV 3CL protease
por: Liu, Yu-Chih, et al.
Publicado: (2005)

Apigenin analogues as SARS-CoV-2 main protease inhibitors: In-silico screening approach
por: Farhat, Ameny, et al.
Publicado: (2022)

High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors
por: Zang, Yi, et al.
Publicado: (2022)

An electrochemical biosensor for SARS-CoV-2 detection via its papain-like cysteine protease and the protease inhibitor screening
por: Liang, Qizhi, et al.
Publicado: (2023)

Potential Resistance of SARS-CoV-2 Main Protease (Mpro) against Protease Inhibitors: Lessons Learned from HIV-1 Protease
por: Mótyán, János András, et al.
Publicado: (2022)

Identification of a Putative SARS-CoV-2 Main Protease Inhibitor through In Silico Screening of Self-Designed Molecular Library
por: Liu, Nanxin, et al.
Publicado: (2023)

Design, synthesis, and evaluation of trifluoromethyl ketones as inhibitors of SARS-CoV 3CL protease
por: Shao, Yi-Ming, et al.
Publicado: (2008)

Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors
por: Kim, Hoshin, et al.
Publicado: (2022)

QSAR and molecular docking studies on designing potent inhibitors of SARS-CoVs main protease
por: Song, Fucheng, et al.
Publicado: (2023)

Classification of HIV-1 Protease Inhibitors by Machine Learning Methods
por: Li, Yang, et al.
Publicado: (2018)

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
por: Cardoso, Wesley B., et al.
Publicado: (2021)

Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors
por: Huff, Sarah, et al.
Publicado: (2021)

Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design
por: Kralj, Sebastjan, et al.
Publicado: (2021)

Structure‐Activity Relationships of Benzamides and Isoindolines Designed as SARS‐CoV Protease Inhibitors Effective against SARS‐CoV‐2
por: Welker, Armin, et al.
Publicado: (2020)

Fenoterol and dobutamine as SARS-CoV-2 main protease inhibitors: A virtual screening study
por: Bolelli, Kayhan, et al.
Publicado: (2021)

High-Throughput Screening for Inhibitors of the SARS-CoV-2 Protease Using a FRET-Biosensor
por: Brown, Alistair S., et al.
Publicado: (2020)

High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2
por: Olubiyi, Olujide O., et al.
Publicado: (2020)

Selection of SARS-CoV-2 main protease inhibitor using structure-based virtual screening
por: Hakami, Abdulrahim R, et al.
Publicado: (2021)

Kinetic Characterization and Inhibitor Screening for the Proteases Leading to Identification of Drugs against SARS-CoV-2
por: Kuo, Chih-Jung, et al.
Publicado: (2021)

In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi
por: Mengist, Hylemariam Mihiretie, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_r48cehr67rp85c3kar1lgfqjul