Cargando…

In silico assessment of diterpenes as potential inhibitors of SARS-COV-2 main protease

AIM: We aimed to investigate the potential inhibitory effects of diterpenes on SARS-CoV-2 main protease (Mpro). MATERIALS & METHODS: We performed a virtual screening of diterpenoids against Mpro using molecular docking, molecular dynamics simulation and absorption, distribution, metabolism and e...

Descripción completa

Detalles Bibliográficos
Autores principales:	Abdelrady, Yousef A, Ashraf, Naeem Mahmood, Hamid, Arslan, Thabet, Hayam S, Sayed, Asmaa M, Salem, Shimaa H, Hassanein, Emad HM, Sayed, Ahmed M
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Future Medicine Ltd 2023
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10207350/ http://dx.doi.org/10.2217/fvl-2022-0163

Ejemplares similares

Blue Biotechnology: Computational Screening of Sarcophyton Cembranoid Diterpenes for SARS-CoV-2 Main Protease Inhibition
por: Ibrahim, Mahmoud A. A., et al.
Publicado: (2021)

The dolabellane diterpenes as potential inhibitors of the SARS-CoV-2 main protease: molecular insight of the inhibitory mechanism through computational studies
por: Aminah, Nanik Siti, et al.
Publicado: (2021)

An in-silico evaluation of COVID-19 main protease with clinically approved drugs
por: Tachoua, Wafa, et al.
Publicado: (2020)

Statins and the COVID-19 main protease: in silico evidence on direct interaction
por: Reiner, Željko, et al.
Publicado: (2020)

In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors
por: Ibrahim, Mahmoud A.A., et al.
Publicado: (2020)

Identification of Potential SARS-CoV-2 Main Protease and Spike Protein Inhibitors from the Genus Aloe: An In Silico Study for Drug Development
por: Abouelela, Mohamed E., et al.
Publicado: (2021)

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study
por: Ibrahim, Mahmoud A.A., et al.
Publicado: (2021)

Synthesis and In Silico Study of Some New bis-[1,3,4]thiadiazolimines and bis-Thiazolimines as Potential Inhibitors for SARS-CoV-2 Main Protease
por: Gomha, Sobhi M., et al.
Publicado: (2022)

Spectroscopic details on the molecular structure of pyrimidine‑2‑thiones heterocyclic compounds: computational and antiviral activity against the main protease enzyme of SARS-CoV-2
por: Sayed, Doaa S. El, et al.
Publicado: (2022)

An in-silico investigation of potential natural polyphenols for the targeting of COVID main protease inhibitor
por: Aljarba, Nada H., et al.
Publicado: (2022)

In-silico screening of naturally derived phytochemicals against SARS-CoV Main protease
por: Mostafa, Islam, et al.
Publicado: (2021)

Clean Grinding Technique: A Facile Synthesis and In Silico Antiviral Activity of Hydrazones, Pyrazoles, and Pyrazines Bearing Thiazole Moiety against SARS-CoV-2 Main Protease (M(pro))
por: Abu-Melha, Sraa, et al.
Publicado: (2020)

Hordatines as a Potential Inhibitor of COVID-19 Main Protease and RNA Polymerase: An In-Silico Approach
por: Dahab, Mohammed A., et al.
Publicado: (2020)

Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2–P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach
por: Achilonu, Ikechukwu, et al.
Publicado: (2020)

In silico screening, SAR and kinetic studies of naturally occurring flavonoids against SARS CoV-2 main protease
por: Imran, Muhammad, et al.
Publicado: (2022)

Acridone Alkaloids: In-Silico Investigation Against SARS-CoV-2 Main Protease
por: Oderinlo, Ogunyemi Olajide, et al.
Publicado: (2022)

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

Cytotoxic Labdane Diterpenes, Norlabdane Diterpenes and Bis-Labdanic Diterpenes from the Zingiberaceae: A Systematic Review
por: Voon, Kelvin Jianmin, et al.
Publicado: (2022)

Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics
por: Alhadrami, Hani A., et al.
Publicado: (2021)

The promising therapeutic potentials of ginsenosides mediated through p38 MAPK signaling inhibition
por: Arafa, El-Shaimaa A., et al.
Publicado: (2021)

In Silico Studies of Lamiaceae Diterpenes with Bioinsecticide Potential against Aphis gossypii and Drosophila melanogaster
por: Rodrigues, Gabriela Cristina Soares, et al.
Publicado: (2021)

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

In silico targeting SARS-CoV-2 spike protein and main protease by biochemical compounds
por: Babaeekhou, Laleh, et al.
Publicado: (2021)

2-Phenoxyacetamide derivatives as SARS-CoV-2 main protease inhibitor: In silico studies
por: Hariyono, Pandu, et al.
Publicado: (2022)

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

In silico structure-based discovery of a SARS-CoV-2 main protease inhibitor
por: Wen, Lei, et al.
Publicado: (2021)

In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main Protease
por: Cheng, Adrian Josiah T., et al.
Publicado: (2022)

Screening, molecular simulation & in silico kinetics of virtually designed covid-19 main protease inhibitors
por: Aleissa, Mohammed S., et al.
Publicado: (2022)

In Silico Discovery of Small-Molecule Inhibitors Targeting SARS-CoV-2 Main Protease
por: Gao, Menghan, et al.
Publicado: (2023)

In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease
por: Yañez, Osvaldo, et al.
Publicado: (2021)

The impact of teacher preparation on preservice teachers' attitudes toward inclusive education in Qatar
por: Hassanein, Elsayed E.A., et al.
Publicado: (2021)

New Antiproliferative Cembrane Diterpenes from the Red Sea Sarcophyton Species
por: Hassan, Hossam M., et al.
Publicado: (2019)

A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

An Evaluation of the Novel Biological Properties of Diterpenes Isolated from Plectranthus ornatus Codd. In Vitro and In Silico
por: Sitarek, Przemysław, et al.
Publicado: (2022)

In silico analysis of selected alkaloids against main protease (M(pro)) of SARS-CoV-2
por: Garg, Saksham, et al.
Publicado: (2020)

In silico fight against novel coronavirus by finding chromone derivatives as inhibitor of coronavirus main proteases enzyme
por: Sepay, Nayim, et al.
Publicado: (2020)

Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target
por: Ortega, Joseph Thomas, et al.
Publicado: (2020)

In silico investigation of potential inhibitors to main protease and spike protein of SARS-CoV-2 in propolis
por: Harisna, Azza Hanif, et al.
Publicado: (2021)

In silico approach for identification of natural compounds as potential COVID 19 main protease (M(pro)) inhibitors
por: Chaturvedi, Monika, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_lhqm8gafn3r8s2edppr4kumvj0