Cargando…

ADMET profile and virtual screening of plant and microbial natural metabolites as SARS-CoV-2 S1 glycoprotein receptor binding domain and main protease inhibitors

In an attempt to search for selective inhibitors against the SARS-CoV-2 which caused devastating of lives and livelihoods across the globe, 415 natural metabolites isolated from several plants, fungi and bacteria, belonging to different classes, were investigated. The drug metabolism and safety prof...

Descripción completa

Detalles Bibliográficos
Autores principales:	Padhi, Srichandan, Masi, Marco, Chourasia, Rounak, Rajashekar, Yallappa, Rai, Amit Kumar, Evidente, Antonio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2021
Materias:	Full Length Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7561576/ https://www.ncbi.nlm.nih.gov/pubmed/33069672 http://dx.doi.org/10.1016/j.ejphar.2020.173648

Ejemplares similares

A Potential Peptide From Soy Cheese Produced Using Lactobacillus delbrueckii WS4 for Effective Inhibition of SARS-CoV-2 Main Protease and S1 Glycoprotein
por: Chourasia, Rounak, et al.
Publicado: (2020)

A Multifunctional Peptide From Bacillus Fermented Soybean for Effective Inhibition of SARS-CoV-2 S1 Receptor Binding Domain and Modulation of Toll Like Receptor 4: A Molecular Docking Study
por: Padhi, Srichandan, et al.
Publicado: (2021)

Peptide candidates for the development of therapeutics and vaccines against β-coronavirus infection
por: Chourasia, Rounak, et al.
Publicado: (2022)

Isolation and Characterization of an Endophytic Fungus Colletotrichum coccodes Producing Tyrosol From Houttuynia cordata Thunb. Using ITS2 RNA Secondary Structure and Molecular Docking Study
por: Talukdar, Rajreepa, et al.
Publicado: (2021)

Discovery of genistein derivatives as potential SARS-CoV-2 main protease inhibitors by virtual screening, molecular dynamics simulations and ADMET analysis
por: Liu, Jiawei, et al.
Publicado: (2022)

Cyclopaldic Acid, the Main Phytotoxic Metabolite of Diplodia cupressi, Induces Programmed Cell Death and Autophagy in Arabidopsis thaliana
por: Samperna, Simone, et al.
Publicado: (2022)

Molecular docking and ADMET study of bioactive compounds of Glycyrrhiza glabra against main protease of SARS-CoV2
por: Srivastava, Vivek, et al.
Publicado: (2022)

Ephedra foeminea as a Novel Source of Antimicrobial and Anti-Biofilm Compounds to Fight Multidrug Resistance Phenotype
por: Ismail, Shurooq, et al.
Publicado: (2023)

Natural Bioactive Cinnamoyltyramine Alkylamides and Co-Metabolites
por: Evidente, Antonio, et al.
Publicado: (2021)

Food phytochemicals, epigallocatechin gallate and myricetin, covalently bind to the active site of the coronavirus main protease in vitro
por: Kato, Yoji, et al.
Publicado: (2021)

Characterization of ACE inhibitory and antioxidant peptides in yak and cow milk hard chhurpi cheese of the Sikkim Himalayan region
por: Abedin, Md Minhajul, et al.
Publicado: (2022)

Mode of Action of the Natural Insecticide, Decaleside Involves Sodium Pump Inhibition
por: Rajashekar, Yallappa, et al.
Publicado: (2017)

Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M(Pro))
por: EL Khatabi, Khalil, et al.
Publicado: (2022)

One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors
por: Salih, Rezan Huseen Hama, et al.
Publicado: (2022)

The Inhibitory Potential of Ferulic Acid Derivatives against the SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics, and ADMET Evaluation
por: Antonopoulou, Io, et al.
Publicado: (2022)

Discovery of SARS-CoV-2 main protease covalent inhibitors from a DNA-encoded library selection
por: Ge, Rui, et al.
Publicado: (2022)

Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (M(pro))
por: Abdul-Hammed, Misbaudeen, et al.
Publicado: (2021)

Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations
por: Hadni, Hanine, et al.
Publicado: (2022)

Discovery of TCMs and derivatives against the main protease of SARS-CoV-2 via high throughput screening, ADMET analysis, and inhibition assay in vitro
por: Qi, Xinyu, et al.
Publicado: (2022)

Pseudomonas fluorescens Showing Antifungal Activity against Macrophomina phaseolina, a Severe Pathogenic Fungus of Soybean, Produces Phenazine as the Main Active Metabolite
por: Castaldi, Stefany, et al.
Publicado: (2021)

Synthesis, characterization, computational analyses, in silico ADMET studies, and inhibitory action against SARS-CoV-2 main protease (Mpro) of a Schiff base
por: ŞAHİN, Songül, et al.
Publicado: (2022)

FP-ADMET: a compendium of fingerprint-based ADMET prediction models
por: Venkatraman, Vishwesh
Publicado: (2021)

Acetylcholinesterase Inhibition by Biofumigant (Coumaran) from Leaves of Lantana camara in Stored Grain and Household Insect Pests
por: Rajashekar, Yallappa, et al.
Publicado: (2014)

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET
por: Flores-Holguín, Norma, et al.
Publicado: (2022)

Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations
por: Dhameliya, Tejas M., et al.
Publicado: (2022)

Discover the Medication Potential of Algerian Medicinal Plants Against Sars-Cov-2 Main Protease (M(pro)): Molecular Docking, Molecular Dynamic Simulation, and ADMET Analysis
por: Soudani, Wafa, et al.
Publicado: (2023)

Author Correction: Current biological approaches for management of crucifer pests
por: Mayanglambam, Saini, et al.
Publicado: (2021)

Current biological approaches for management of crucifer pests
por: Mayanglambam, Saini, et al.
Publicado: (2021)

Cotton flower metabolites inhibit SARS‐CoV‐2 main protease
por: Zhang, Yufang, et al.
Publicado: (2022)

Molecular Characterization of a Fungus Producing Membrane Active Metabolite and Analysis of the Produced Secondary Metabolite
por: Azerang, Parisa, et al.
Publicado: (2019)

Xanthene based hybrid analogues to inhibit protease of novel corona Virus: Molecular docking and ADMET studies
por: Kumar Vishvakarma, Vijay, et al.
Publicado: (2020)

Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19
por: Rai, Himanshu, et al.
Publicado: (2021)

Fungal Metabolites with Antagonistic Activity against Fungi of Lithic Substrata
por: Masi, Marco, et al.
Publicado: (2021)

ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database
por: Dong, Jie, et al.
Publicado: (2018)

In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling
por: Belhassan, Assia, et al.
Publicado: (2022)

Activity of Some Plant and Fungal Metabolites towards Aedes albopictus (Diptera, Culicidae)
por: Ganassi, Sonia, et al.
Publicado: (2021)

Fungal Metabolites Antagonists towards Plant Pests and Human Pathogens: Structure-Activity Relationship Studies
por: Masi, Marco, et al.
Publicado: (2018)

The Lentiviral Vector Pseudotyped by Modified Rabies Glycoprotein Does Not Cause Reactive Gliosis and Neurodegeneration in Rat Hippocampus
por: Farzaneh, Mostafa, et al.
Publicado: (2019)

2, 3-Dimethylmaleic anhydride (3, 4-Dimethyl-2, 5-furandione): A plant derived insecticidal molecule from Colocasia esculenta var. esculenta (L.) Schott
por: Rajashekar, Yallappa, et al.
Publicado: (2016)

Insecticidal and biochemical effects of Dillenia indica L. leaves against three major stored grain insect pests
por: Singh, Kabrambam D., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_hqkcohhhkt3cklde9kl3illepp