Cargando…

Receptor-Based Pharmacophore Modeling in the Search for Natural Products for COVID-19 M(pro)

Considering the urgency of the COVID-19 pandemic, we developed a receptor-based pharmacophore model for identifying FDA-approved drugs and hits from natural products. The COVID-19 main protease (M(pro)) was selected for the development of the pharmacophore model. The model consisted of a hydrogen bo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Saeed, Mohd, Saeed, Amir, Alam, Md Jahoor, Alreshidi, Mousa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8000608/ https://www.ncbi.nlm.nih.gov/pubmed/33799871 http://dx.doi.org/10.3390/molecules26061549

Ejemplares similares

Identification of Persuasive Antiviral Natural Compounds for COVID-19 by Targeting Endoribonuclease NSP15: A Structural-Bioinformatics Approach
por: Saeed, Mohd, et al.
Publicado: (2020)

Pharmacophore-based approaches in the rational repurposing technique for FDA approved drugs targeting SARS-CoV-2 M(pro)
por: Balaramnavar, Vishal M., et al.
Publicado: (2020)

Correction: Pharmacophore-based approaches in the rational repurposing technique for FDA approved drugs targeting SARS-CoV-2 M(pro)
por: Balaramnavar, Vishal M., et al.
Publicado: (2020)

Inter-correlation of risk factors among heart patients
por: Alam, Md Jahoor, et al.
Publicado: (2020)

A descriptive analysis of PVL-positive multidrug-resistant Staphylococcus aureus in hospital-associated infections in Saudi Arabia
por: Mazi, Waleed, et al.
Publicado: (2020)

Molecular docking analysis of p53 with Toll-like receptors
por: Alam, Mohammad Jahoor, et al.
Publicado: (2021)

Search for the Pharmacophore of Histone Deacetylase Inhibitors Using Pharmacophore Query and Docking Study
por: Haji Agha Bozorgi, Atefeh, et al.
Publicado: (2014)

ZINCPharmer: pharmacophore search of the ZINC database
por: Koes, David Ryan, et al.
Publicado: (2012)

Applications of the Pharmacophore Concept in Natural Product inspired Drug Design
por: Seidel, Thomas, et al.
Publicado: (2020)

Structure-activity profiling of alkaloid natural product pharmacophores against a Schistosoma serotonin receptor
por: Marchant, Jonathan S., et al.
Publicado: (2018)

Novel Polymeric Nanomaterial Based on Poly(Hydroxyethyl Methacrylate-Methacryloylamidophenylalanine) for Hypertension Treatment: Properties and Drug Release Characteristics
por: Bardakci, Fevzi, et al.
Publicado: (2022)

Identification of New Mycobacterium tuberculosis Proteasome Inhibitors Using a Knowledge-Based Computational Screening Approach
por: Almeleebia, Tahani M., et al.
Publicado: (2021)

Changes in Amino Acid Metabolism of Staphylococcus aureus following Growth to the Stationary Phase under Adjusted Growth Conditions
por: Alreshidi, Mousa, et al.
Publicado: (2022)

Significant Changes in Cytoplasmic Amino Acid Composition Occur in the Transition between Mid-Exponential and Stationary Phases of Growth of Staphylococcus aureus: An Example of Adaptive Homeostasis in Response to Nutrient Limitations
por: Alreshidi, Mousa, et al.
Publicado: (2023)

Discovery of direct inhibitor of KRAS oncogenic protein by natural products: a combination of pharmacophore search, molecular docking, and molecular dynamic studies
por: Hashemi, Samaneh, et al.
Publicado: (2020)

Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M(Pro) inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)
por: Law, Woon Yi, et al.
Publicado: (2020)

Cytoplasmic amino acid profiles of clinical and ATCC 29213 strains of Staphylococcus aureus harvested at different growth phases
por: Alreshidi, Mousa, et al.
Publicado: (2023)

Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures
por: Kutlushina, Alina, et al.
Publicado: (2018)

The Development of Pharmacophore Models for the Search of New Natural Inhibitors of SARS-CoV-2 Spike RBD–ACE2 Binding Interface
por: Semenov, Valentin A., et al.
Publicado: (2022)

Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases
por: Kaserer, Teresa, et al.
Publicado: (2015)

Pharmacophore-Model-Based Virtual-Screening Approaches Identified Novel Natural Molecular Candidates for Treating Human Neuroblastoma
por: Opo, F A Dain Md, et al.
Publicado: (2022)

Nilotinib based pharmacophore models for BCRABL
por: Sabitha, Kesavan
Publicado: (2012)

Hierarchical Graph Representation of Pharmacophore Models
por: Arthur, Garon, et al.
Publicado: (2020)

Pharmacophore Directed Screening of Agonistic Natural Molecules Showing Affinity to 5HT(2C) Receptor
por: Veeramachaneni, Ganesh Kumar, et al.
Publicado: (2019)

Discovery of Novel Glucagon Receptor Antagonists Using Combined Pharmacophore Modeling and Docking
por: Jafari, Fataneh, et al.
Publicado: (2018)

Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (M(pro)) elucidated by microsecond MD simulations
por: Hayek-Orduz, Yasser, et al.
Publicado: (2022)

Insights from the p53 induced TIGAR protein 2 in the glycolytic pathway model
por: Jahoor Alam, Mohammad
Publicado: (2022)

Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model
por: Vasilevich, Natalya I., et al.
Publicado: (2016)

EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities
por: Hsin, Kun-Yi, et al.
Publicado: (2011)

Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores
por: Meyenburg, Christian, et al.
Publicado: (2022)

Natural Compound Modulates the Cervical Cancer Microenvironment—A Pharmacophore Guided Molecular Modelling Approaches
por: Rampogu, Shailima, et al.
Publicado: (2018)

Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis
por: Bukhari, Syed Nasir Abbas, et al.
Publicado: (2022)

A Review of the Updated Pharmacophore for the Alpha 5 GABA(A) Benzodiazepine Receptor Model
por: Clayton, Terry, et al.
Publicado: (2015)

Investigation of D(2) Receptor–Agonist Interactions Using a Combination of Pharmacophore and Receptor Homology Modeling
por: Malo, Marcus, et al.
Publicado: (2012)

Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints
por: Horvath, D
Publicado: (2008)

Identification of novel natural drug candidates against BRAF mutated carcinoma; An integrative in-silico structure-based pharmacophore modeling and virtual screening process
por: Dain Md Opo, F. A., et al.
Publicado: (2022)

Antioxidant and Anti-Inflammatory Effects of Zingiber officinale roscoe and Allium subhirsutum: In Silico, Biochemical and Histological Study
por: Zammel, Nourhene, et al.
Publicado: (2021)

Antiviral Effects of Artemisinin and Its Derivatives against SARS-CoV-2 Main Protease: Computational Evidences and Interactions with ACE2 Allelic Variants
por: Badraoui, Riadh, et al.
Publicado: (2022)

Synthesis and Cytotoxic Activity of New Vindoline Derivatives Coupled to Natural and Synthetic Pharmacophores
por: Keglevich, András, et al.
Publicado: (2020)

Pharmacophore based virtual screening for natural product database revealed possible inhibitors for SARS-COV-2 main protease
por: El-Ashrey, Mohamed K., et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_ik6hmt4vkbn0arv1h0d5cc4jpf