Cargando…

Molecular docking analysis of selected phytochemicals against SARS-CoV-2 M(pro) receptor

Presently world is on a war with the novel coronavirus and with no immediate treatments available the scourge caused by the SARS-CoV-2 is increasing day by day. A lot of researches are going on for the potential drug candidate that could help the healthcare system in this fight. Plants are a natural...

Descripción completa

Detalles Bibliográficos
Autores principales:	Garg, Saksham, Anand, Ashutosh, Lamba, Yash, Roy, Arpita
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer Singapore 2020
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7567421/ https://www.ncbi.nlm.nih.gov/pubmed/33100613 http://dx.doi.org/10.1007/s42535-020-00162-1

Ejemplares similares

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

In-silico docking studies of selected phytochemicals against papain like protease of SARS-Cov-2
por: Saranya, Palanisamy, et al.
Publicado: (2022)

Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (M(pro)) inhibitor using docking and molecular dynamics simulations
por: Patel, Chirag N., et al.
Publicado: (2021)

In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools
por: Nag, Anish, et al.
Publicado: (2021)

Identification of medicinal plant-based phytochemicals as a potential inhibitor for SARS-CoV-2 main protease (M(pro)) using molecular docking and deep learning methods
por: Hossain, Alomgir, et al.
Publicado: (2023)

In-silico study: docking simulation and molecular dynamics of peptidomimetic fullerene-based derivatives against SARS-CoV-2 M(pro)
por: Saleh, Noha A.
Publicado: (2023)

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)

Structure-Based In Silico Investigation of Agonists for Proteins Involved in Breast Cancer
por: Roy, Arpita, et al.
Publicado: (2022)

In silico molecular docking analysis for repurposing therapeutics against multiple proteins from SARS-CoV-2
por: Deshpande, Rujuta R., et al.
Publicado: (2020)

Identification of phytochemical inhibitors of SARS-CoV-2 protease 3CL(pro) from selected medicinal plants as per molecular docking, bond energies and amino acid binding energies
por: Ullah, Sami, et al.
Publicado: (2022)

Phytochemicals from Selective Plants Have Promising Potential against SARS-CoV-2: Investigation and Corroboration through Molecular Docking, MD Simulations, and Quantum Computations
por: Kousar, Kafila, et al.
Publicado: (2020)

Molecular docking identifies the binding of 3-chloropyridine moieties specifically to the S1 pocket of SARS-CoV M(pro)
por: Niu, Chunying, et al.
Publicado: (2008)

Identifying and sampling conformational states of SARS-CoV-2 m(pro) for flexible receptor docking
por: Smith, Matthew S., et al.
Publicado: (2023)

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)

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

In Silico Identification and Analysis of Potentially Bioactive Antiviral Phytochemicals against SARS-CoV-2: A Molecular Docking and Dynamics Simulation Approach
por: Halder, Sajal Kumar, et al.
Publicado: (2023)

Screening Malaria-box compounds to identify potential inhibitors against SARS-CoV-2 M(pro), using molecular docking and dynamics simulation studies
por: Ahamad, Shahzaib, et al.
Publicado: (2021)

Azaphenantherene derivatives as inhibitor of SARS CoV-2 M(pro): Synthesis, physicochemical, quantum chemical and molecular docking analysis
por: Venkateshan, M., et al.
Publicado: (2020)

Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M(pro) Protease
por: Tejera, Eduardo, et al.
Publicado: (2020)

Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 M(pro) enzyme through in silico approach
por: Gurung, Arun Bahadur, et al.
Publicado: (2020)

Optimization Rules for SARS-CoV-2 M(pro) Antivirals: Ensemble Docking and Exploration of the Coronavirus Protease Active Site
por: Stoddard, Shana V., et al.
Publicado: (2020)

Computational assessment of select antiviral phytochemicals as potential SARS-Cov-2 main protease inhibitors: molecular dynamics guided ensemble docking and extended molecular dynamics
por: Sawant, Sanjay, et al.
Publicado: (2021)

Anticoagulants as Potential SARS-CoV-2 M(pro) Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies
por: Abo Elmaaty, Ayman, et al.
Publicado: (2022)

In silico studies of anti-oxidative and hot temperament-based phytochemicals as natural inhibitors of SARS-CoV-2 M(pro)
por: Naderi Beni, Ramin, et al.
Publicado: (2023)

Phytochemicals against SARS-CoV as potential drug leads
por: Swain, Shasank Sekhar, et al.
Publicado: (2021)

Phytochemicals of Withania somnifera as a Future Promising Drug against SARS-CoV-2: Pharmacological Role, Molecular Mechanism, Molecular Docking Evaluation, and Efficient Delivery
por: Ramli, Suaidah, et al.
Publicado: (2023)

Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 M(pro)
por: Mohan, Anbuselvam, et al.
Publicado: (2021)

A molecular docking study of SARS-CoV-2 main protease against phytochemicals of Boerhavia diffusa Linn. for novel COVID-19 drug discovery
por: Rutwick Surya, U., et al.
Publicado: (2021)

Phytochemical Discrimination, Biological Activity and Molecular Docking of Water-Soluble Inhibitors from Saussurea costus Herb against Main Protease of SARS-CoV-2
por: Idriss, Hajo, et al.
Publicado: (2022)

Molecular docking study of potential phytochemicals and their effects on the complex of SARS-CoV2 spike protein and human ACE2
por: Basu, Anamika, et al.
Publicado: (2020)

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

Potential phytochemical inhibitors of SARS-CoV-2 helicase Nsp13: a molecular docking and dynamic simulation study
por: Vivek-Ananth, R. P., et al.
Publicado: (2021)

Bioprospecting phytochemicals of Rosmarinus officinalis L. for targeting SARS-CoV-2 main protease (M(pro)): a computational study
por: Patel, Unnati, et al.
Publicado: (2023)

Evaluation of bioactive compounds from Boswellia serrata against SARS-CoV-2
por: Roy, Arpita, et al.
Publicado: (2021)

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

Evaluation of Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling
por: Chandra Manivannan, Arun, et al.
Publicado: (2022)

Potential inhibitors of SARS-CoV-2 (COVID 19) proteases PL(pro) and M(pro)/ 3CL(pro): molecular docking and simulation studies of three pertinent medicinal plant natural components
por: Verma, Devvret, et al.
Publicado: (2021)

Molecular docking analysis of phytochemicals with estrogen receptor alpha
por: M Rafeeq, Misbahuddin
Publicado: (2022)

Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations
por: Dutta, Mycal, et al.
Publicado: (2021)

Inhibitory effects of selected isoquinoline alkaloids against main protease (M(pro)) of SARS-CoV-2, in silico study
por: Sadeghi, Morteza, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_huklil1vm5okrpq5mnacetqrt0