Cargando…

Potential inhibitory properties of structurally modified quercetin/isohamnetin glucosides against SARS-CoV-2 Mpro; molecular docking and dynamics simulation strategies

Concerned organizations and individuals are fully engaged in seeking appropriate measures towards managing Severe Acute Respiratory Syndrome Coronavirus 2 (SAR-CoV-2) infection because of the unprecedented economic and health impact. SAR-CoV-2 Main protease (SARS-CoV-2 Mpro) is unique to the surviva...

Descripción completa

Detalles Bibliográficos
Autores principales:	Adegbola, Peter Ifeoluwa, Fadahunsi, Olumide Samuel, Ogunjinmi, Oluwasayo Esther, Adegbola, Aanuoluwa Eunice, Ojeniyi, Fiyinfoluwa Demilade, Adesanya, Adetayo, Olagoke, Emmanuel, Adisa, Ayobami Damilare, Ehigie, Adeola Folasade, Adetutu, Adewale, Semire, Banjo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Author(s). Published by Elsevier Ltd. 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9837157/ https://www.ncbi.nlm.nih.gov/pubmed/36686560 http://dx.doi.org/10.1016/j.imu.2023.101167

Ejemplares similares

In silico studies of Potency and safety assessment of selected trial drugs for the treatment of COVID-19
por: Adegbola, Peter Ifeoluwa, et al.
Publicado: (2021)

Molecular docking and ADMET studies of Allium cepa, Azadirachta indica and Xylopia aethiopica isolates as potential anti-viral drugs for Covid-19
por: Adegbola, Peter Ifeoluwa, et al.
Publicado: (2021)

Computational prediction of nimbanal as potential antagonist of respiratory syndrome coronavirus
por: Adegbola, Aanuoluwa Eunice, et al.
Publicado: (2021)

The Role of Poly-Herbal Extract in Sodium Chloride-Induced Oxidative Stress and Hyperlipidemia in Male Wistar Rats
por: Olorunnisola, Olubukola Sinbad, et al.
Publicado: (2021)

Health risk assessment and heavy metal accumulation in fish species (Clarias gariepinus and Sarotherodon melanotheron) from industrially polluted Ogun and Eleyele Rivers, Nigeria
por: Adegbola, Ifeoluwa Peter, et al.
Publicado: (2021)

A Review on Ethno-Medicinal and Pharmacological Activities of Sphenocentrum jollyanum Pierre
por: Olorunnisola, Olubukola Sinbad, et al.
Publicado: (2017)

Phyllanthus amarus attenuated derangement in renal-cardiac function, redox status, lipid profile and reduced TNF-α, interleukins-2, 6 and 8 in high salt diet fed rats
por: Olorunnisola, Olubukola Sinbad, et al.
Publicado: (2021)

Phytochemistry, nutritional composition, and pharmacological activities of Thaumatococcus daniellii (Benth): a review
por: Fadahunsi, Olumide, et al.
Publicado: (2021)

Inhibition of In Vivo Growth of Plasmodium berghei by Launaea taraxacifolia and Amaranthus viridis in Mice
por: Adetutu, Adewale, et al.
Publicado: (2016)

Dataset on in-silico investigation on triazole derivatives via molecular modelling approach: A potential glioblastoma inhibitors
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2020)

Dataset on theoretical bio-evaluation of 1,2,4-thiadiazole-1,2,4-triazole analogues against epidermal growth factor receptor kinase down regulating human lung cancer
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2021)

Green synthesis of copper oxide nanoparticles using extracts of Solanum macrocarpon fruit and their redox responses on SPAu electrode
por: Okpara, Enyioma C., et al.
Publicado: (2021)

Dataset on the DFT-QSAR, and docking approaches for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against human esophageal carcinoma (EC-109)
por: Adegoke, Rhoda Oyeladun, et al.
Publicado: (2020)

Theoretical calculations of molecular descriptors for anticancer activities of 1, 2, 3-triazole-pyrimidine derivatives against gastric cancer cell line (MGC-803): DFT, QSAR and docking approaches
por: Oyewole, Rhoda Oyeladun, et al.
Publicado: (2020)

Dataset on Insilico approaches for 3,4-dihydropyrimidin-2(1H)-one urea derivatives as efficient Staphylococcus aureus inhibitor
por: Oyebamiji, Abel Kolawole, et al.
Publicado: (2020)

Anti-gastric cancer activity of 1,2,3-triazolo[4,5-d]pyrimidine hybrids (1,2,3-TPH): QSAR and molecular docking approaches
por: Kolawole, Oyebamiji Abel, et al.
Publicado: (2020)

Electronic and optical properties’ tuning of phenoxazine-based D-A(2)-π-A(1) organic dyes for dye-sensitized solar cells. DFT/TDDFT investigations
por: Afolabi, Samson Olusegun, et al.
Publicado: (2021)

Influence of gallic and tannic acid on therapeutic properties of acarbose in vitro and in vivo in Drosophila melanogaster
por: Oboh, Ganiyu, et al.
Publicado: (2019)

Genomics and Pain Research in Sickle Cell Disease: An Explanation of Heterogeneity?
por: Adegbola, Maxine
Publicado: (2011)

Molecular properties and In silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenyl yl-4,5-dihydro-1H-pyrazol-1-yl]methanone derivatives: DFT and molecular docking approaches
por: Omotayo, Ibrahim A., et al.
Publicado: (2023)

Erratum to: Investigating determinants of catastrophic health spending among poorly insured elderly households in urban Nigeria
por: Adisa, Olumide
Publicado: (2015)

Investigating determinants of catastrophic health spending among poorly insured elderly households in urban Nigeria
por: Adisa, Olumide
Publicado: (2015)

Advances in the Development of SARS-CoV-2 Mpro Inhibitors
por: Agost-Beltrán, Laura, 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)

Performance of malaria rapid diagnostic test in febrile under-five children at Oni Memorial Children’s Hospital in Ibadan, Nigeria, 2016
por: Adebisi, Nurudeen Ayobami, et al.
Publicado: (2018)

The incidence, risk factors and determinants of perinatal outcome of umbilical cord prolapses in Lagos, Nigeria
por: Adegbola, Omololu, et al.
Publicado: (2017)

A year in the life of SARS-CoV-2 Mpro: molecular modeling and analysis of clinically observed Mpro variants from the first year of the COVID-19 pandemic
por: Diessner, Elizabeth M., et al.
Publicado: (2022)

Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro
por: Papaj, Katarzyna, et al.
Publicado: (2021)

Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro
por: Tam, Nguyen Minh, et al.
Publicado: (2021)

Fragment-based design of SARS-CoV-2 Mpro inhibitors
por: Teli, Divya M., et al.
Publicado: (2022)

Studies on antiviral resistant SARS-CoV-2 Mpro mutants
por: Esler, Morgan A., et al.
Publicado: (2023)

Anti-apoptotic effect of Buchholzia coriacea Engl. stem back extracts on AsPC-1 and mechanisms of action
por: Onohuean, Hope, et al.
Publicado: (2021)

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

Potential inhibitors for SARS-CoV-2 Mpro from marine compounds
por: Tam, Nguyen Minh, et al.
Publicado: (2021)

Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro
por: Yadav, Ruchi, et al.
Publicado: (2022)

Intra-abdominal removal of a displaced hip prosthesis
por: Morrison, Rory, et al.
Publicado: (2014)

Editorial: New epidemiological, etiological and management insights into community-acquired pneumonia in children: subregional, regional and global perspectives
por: Falade, Adegoke G., et al.
Publicado: (2023)

THE MICROBIOLOGICAL DIAGNOSIS OF TUBERCULOSIS IN A RESOURCE - LIMITED SETTING: IS ACID-FAST BACILLI MICROSCOPY ALONE SUFFICIENT?
por: Odubanjo, M.O., et al.
Publicado: (2011)

MPRO: A Professionalism Curriculum to Enhance the Professional Identity Formation of University Premedical Students
por: Merlo, Gia, et al.
Publicado: (2021)

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

Cannot write session to /tmp/vufind_sessions/sess_khgvc2bc4ar1b4db0hp3rupgjb