Cargando…

In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment

In silico studies performed on the metabolites of four Cameroonian medicinal plants with a view to propose potential molecules to fight against COVID-19 were carried out. At first, molecular docking was performed for a set of 84 selected phytochemicals with SARS-CoV-2 main protease (PDB ID: 6lu7) pr...

Descripción completa

Detalles Bibliográficos
Autores principales:	Chtita, Samir, Fouedjou, Romuald Tematio, Belaidi, Salah, Djoumbissie, Loris Alvine, Ouassaf, Mebarka, Qais, Faizan Abul, Bakhouch, Mohamed, Efendi, Mohammed, Tok, Tugba Taskin, Bouachrine, Mohammed, Lakhlifi, Tahar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer US 2022
Materias:	Original Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9051495/ https://www.ncbi.nlm.nih.gov/pubmed/35505923 http://dx.doi.org/10.1007/s11224-022-01939-7

Ejemplares similares

Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations
por: Chtita, Samir, et al.
Publicado: (2022)

QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods
por: Chtita, Samir, et al.
Publicado: (2021)

Molecular docking analysis of N-substituted Oseltamivir derivatives with the SARS-CoV-2 main protease
por: Belhassan, Assia, et al.
Publicado: (2020)

Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2
por: Ouassaf, Mebarka, et al.
Publicado: (2021)

Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach
por: Belhassan, Assia, et al.
Publicado: (2021)

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)

QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity
por: Aouidate, Adnane, et al.
Publicado: (2017)

QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors
por: Aouidate, Adnane, et al.
Publicado: (2018)

QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors
por: Chtita, Samir, et al.
Publicado: (2019)

In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening
por: Ghaleb, Adib, et al.
Publicado: (2019)

Study of novel triazolo-benzodiazepine analogues as antidepressants targeting by molecular docking and ADMET properties prediction
por: Belhassan, Assia, et al.
Publicado: (2019)

Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach
por: Belhassan, Assia, et al.
Publicado: (2020)

Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters
por: Hajji, Halima, et al.
Publicado: (2022)

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)

Integrated 3D-QSAR, molecular docking, and molecular dynamics simulation studies on 1,2,3-triazole based derivatives for designing new acetylcholinesterase inhibitors
por: EL KHATABI, Khalil, et al.
Publicado: (2021)

Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach
por: Daoui, Ossama, et al.
Publicado: (2023)

New organic dye-sensitized solar cells based on the D–A–π–A structure for efficient DSSCs: DFT/TD-DFT investigations
por: Azaid, Ahmed, et al.
Publicado: (2022)

Pharmacoinformatics and Breed-Based De Novo Hybridization Studies to Develop New Neuraminidase Inhibitors as Potential Anti-Influenza Agents
por: Lotfi, Bourougaa, et al.
Publicado: (2023)

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties
por: Khaldan, Ayoub, et al.
Publicado: (2021)

New phytoconstituents from the aerial parts of Fumaria parviflora Lam
por: Jameel, Mohammad, et al.
Publicado: (2014)

Alkaloidal Phytoconstituents for Diabetes Management: Exploring the Unrevealed Potential
por: Behl, Tapan, et al.
Publicado: (2022)

3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents
por: Daoui, Ossama, et al.
Publicado: (2022)

Isolation, characterization, development and evaluation of phytoconstituent based formulation for diabetic neuropathy
por: Pathak, Rashmi, et al.
Publicado: (2023)

Phytoconstituents as photoprotective novel cosmetic formulations
por: Saraf, S., et al.
Publicado: (2010)

Role of phytoconstituents in the management of COVID-19
por: Das, Amiya, et al.
Publicado: (2021)

Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents
por: Gupta, Preeti, et al.
Publicado: (2020)

Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach
por: Aziz, Mubashir, et al.
Publicado: (2022)

Ophthalmological findings in Cameroonian boxers
por: Kagmeni, Giles, et al.
Publicado: (2017)

Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of liquiritigenin derivatives
por: Nour, Hassan, et al.
Publicado: (2022)

Isolation and characterization of phytoconstituents from Chlorophytum borivilianum
por: Deore, Sharada L., et al.
Publicado: (2010)

Phospholipid Complex Technique for Superior Bioavailability of Phytoconstituents
por: Gnananath, Kattamanchi, et al.
Publicado: (2017)

Therapeutic Potential of Phytoconstituents in Management of Alzheimer's Disease
por: Singh, Anurag Kumar, et al.
Publicado: (2021)

Discovery of Phenylcarbamoylazinane-1,2,4-Triazole Amides Derivatives as the Potential Inhibitors of Aldo-Keto Reductases (AKR1B1 & AKRB10): Potential Lead Molecules for Treatment of Colon Cancer
por: Saeed, Amna, et al.
Publicado: (2022)

Inauguration of the Cameroonian Society of Human Genetics
por: Wonkam, Ambroise, et al.
Publicado: (2009)

Object Detector Combination for Increasing Accuracy and Detecting More Overlapping Objects
por: Drid, Khaoula, et al.
Publicado: (2020)

Considerably Improving Clustering Algorithms Using UMAP Dimensionality Reduction Technique: A Comparative Study
por: Allaoui, Mebarka, et al.
Publicado: (2020)

COVID-19 risk reduce based YOLOv4-P6-FaceMask detector and DeepSORT tracker
por: Mokeddem, Mohammed Lakhdar, et al.
Publicado: (2022)

Herbal Drugs from Sudan: Traditional Uses and Phytoconstituents
por: Karar, Mohamed Gamaleldin Elsadig, et al.
Publicado: (2017)

Role of Phytoconstituents as PPAR Agonists: Implications for Neurodegenerative Disorders
por: , Sanjay, et al.
Publicado: (2021)

Diversity and phylogenetic relationships of Glossina populations in Nigeria and the Cameroonian border region
por: Shaida, Stephen Saikiu, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_7fr2upnh6btck2r3igadf5ddvd