Cargando…

Synthesis, characterization, computational analyses, in silico ADMET studies, and inhibitory action against SARS-CoV-2 main protease (Mpro) of a Schiff base

COVID-19 disease caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) has struck the whole world and raised severe health, economic, and social problems. Many scientists struggled to find a vaccine or an antiviral drug. Eventually, both vaccines and recommended drugs, repurposed...

Descripción completa

Detalles Bibliográficos
Autores principales:	ŞAHİN, Songül, DEGE, Necmi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Scientific and Technological Research Council of Turkey (TUBITAK) 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10390206/ https://www.ncbi.nlm.nih.gov/pubmed/37529731 http://dx.doi.org/10.55730/1300-0527.3460

Ejemplares similares

Recognition of Natural Products as Potential Inhibitors of COVID-19 Main Protease (Mpro): In-Silico Evidences
por: Narkhede, Rohan R., et al.
Publicado: (2020)

Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation
por: Tatlidil, Digdem, et al.
Publicado: (2022)

Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
por: Biembengut, Ísis Venturi, et al.
Publicado: (2020)

Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET Analyses
por: Gupta, Amit, et al.
Publicado: (2022)

Identification of SARS-CoV-2 Main Protease (Mpro) Cleavage Sites Using Two-Dimensional Electrophoresis and In Silico Cleavage Site Prediction
por: Miltner, Noémi, et al.
Publicado: (2023)

Computational Simulation of HIV Protease Inhibitors to the Main Protease (Mpro) of SARS-CoV-2: Implications for COVID-19 Drugs Design
por: Yu, Wei, et al.
Publicado: (2021)

Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors
por: Amin, Sk. Abdul, et al.
Publicado: (2021)

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)

Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study
por: Reyaz, Saima, et al.
Publicado: (2021)

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)

Synthesis, Molecular Docking, and Dynamic Simulation Targeting Main Protease (Mpro) of New, Thiazole Clubbed Pyridine Scaffolds as Potential COVID-19 Inhibitors
por: Alghamdi, Adel, et al.
Publicado: (2023)

Quinazoline-Schiff base conjugates: in silico study and ADMET predictions as multi-target inhibitors of coronavirus (SARS-CoV-2) proteins
por: Mansour, Mostafa A., et al.
Publicado: (2020)

Exploring novel derivatives of isatin-based Schiff bases as multi-target agents: design, synthesis, in vitro biological evaluation, and in silico ADMET analysis with molecular modeling simulations
por: Hassan, Ashraf S., et al.
Publicado: (2023)

Bis benzothiophene Schiff bases: synthesis and in silico-guided biological activity studies
por: ÜNVER, Yasemin, et al.
Publicado: (2020)

Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach
por: Tiwari, Abhay, et al.
Publicado: (2022)

In search of RdRp and Mpro inhibitors against SARS CoV-2: Molecular docking, molecular dynamic simulations and ADMET analysis
por: Gajjar, Normi D., et al.
Publicado: (2021)

Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19
por: Joshi, Tanuja, et al.
Publicado: (2020)

Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation
por: Guo, Sheng, et al.
Publicado: (2021)

A VSV-based assay quantifies coronavirus Mpro/3CLpro/Nsp5 main protease activity and chemical inhibition
por: Heilmann, Emmanuel, et al.
Publicado: (2022)

Finding potential inhibitors for Main protease (Mpro) of SARS-CoV-2 through virtual screening and MD simulation studies
por: Ahamed, N. Anis, et al.
Publicado: (2023)

E3 ubiquitin ligase ZBTB25 suppresses beta coronavirus infection through ubiquitination of the main viral protease MPro
por: Lear, Travis B., et al.
Publicado: (2023)

Hemi-Babim and Fenoterol as Potential Inhibitors of MPro and Papain-like Protease against SARS-CoV-2: An In-Silico Study
por: Alzamami, Ahmad, 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)

Docking study, molecular dynamic, synthesis, anti-α-glucosidase assessment, and ADMET prediction of new benzimidazole-Schiff base derivatives
por: Azizian, Homa, et al.
Publicado: (2022)

Molecular modeling and simulations of some antiviral drugs, benzylisoquinoline alkaloid, and coumarin molecules to investigate the effects on Mpro main viral protease inhibition
por: Mir, Showkat Ahmad, et al.
Publicado: (2023)

Synthesis, Biological Activity and Preliminary in Silico ADMET Screening of Polyamine Conjugates with Bicyclic Systems
por: Szumilak, Marta, et al.
Publicado: (2017)

An in silico evaluation of the ADMET profile of the StreptomeDB database
por: Ntie-Kang, Fidele
Publicado: (2013)

Validation of the Antioxidant and Enzyme Inhibitory Potential of Selected Triterpenes Using In Vitro and In Silico Studies, and the Evaluation of Their ADMET Properties
por: Mamadalieva, Nilufar Z., et al.
Publicado: (2021)

Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies
por: Hamaamin Hussen, Narmin, 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)

Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations
por: Rudrapal, Mithun, et al.
Publicado: (2022)

Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations
por: Adelusi, Temitope Isaac, et al.
Publicado: (2022)

In silico studies on stilbenolignan analogues as SARS-CoV-2 Mpro inhibitors
por: Cetin, Adnan
Publicado: (2021)

In silico analyses of major active constituents of fingerroot (Boesenbergia rotunda) unveils inhibitory activities against SARS-CoV-2 main protease enzyme
por: Bahadur Gurung, Arun, et al.
Publicado: (2022)

SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand-protein docking, molecular dynamics simulations, and ADMET calculations
por: Tumskiy, Roman S., et al.
Publicado: (2023)

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)

Prediction of COVID-19 manipulation by selective ACE inhibitory compounds of Potentilla reptant root: In silico study and ADMET profile
por: Xu, Yuan, et al.
Publicado: (2022)

Copper(II) Chelates of Schiff Bases Enriched with Aliphatic Fragments: Synthesis, Crystal Structure, In Silico Studies of ADMET Properties and a Potency against a Series of SARS-CoV-2 Proteins
por: Panova, Elizaveta V., et al.
Publicado: (2023)

Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
por: Papaj, Katarzyna, et al.
Publicado: (2022)

Novel antiviral effects of chloroquine, hydroxychloroquine, and green tea catechins against SARS CoV-2 main protease (Mpro) and 3C-like protease for COVID-19 treatment
por: Shaik, Fareeda Begum, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_ghsmrvchu78j65d17q7arre0p9