Cargando…

Identification of BACE-1 Inhibitors against Alzheimer’s Disease through E-Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation Studies: An Insilco Approach

Alzheimer is a severe memory and cognitive impairment neurodegenerative disease that is the most common cause of dementia worldwide and characterized by the pathological accumulation of tau protein and amyloid-beta peptides. In this study, we have developed E-pharmacophore modeling to screen the eMo...

Descripción completa

Detalles Bibliográficos
Autor principal:	Chidambaram, Kumarappan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10142975/ https://www.ncbi.nlm.nih.gov/pubmed/37109481 http://dx.doi.org/10.3390/life13040952

Ejemplares similares

A Novel Inhibitor of DKK1/LRP6 Interactions Against the Alzheimer Disease: An Insilco Approach
por: Prajapat, Manisha, et al.
Publicado: (2023)

Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
por: Zhang, Yi, et al.
Publicado: (2020)

Identification of potent HDAC 2 inhibitors using E-pharmacophore modelling, structure-based virtual screening and molecular dynamic simulation
por: Pai, Padmini, et al.
Publicado: (2022)

Insilco identification and characterization of superoxide dismutase gene family in Brassica rapa
por: Iqbal Qureshi, Asif M., et al.
Publicado: (2021)

Discovery of YopE Inhibitors by Pharmacophore-Based Virtual Screening and Docking
por: Ozbuyukkaya, Gizem, et al.
Publicado: (2013)

Pharmacophore and Virtual Screening of JAK3 inhibitors
por: Rajeswari, Murugesan, et al.
Publicado: (2014)

High-throughput virtual screening with e-pharmacophore and molecular simulations study in the designing of pancreatic lipase inhibitors
por: Veeramachaneni, Ganesh Kumar, et al.
Publicado: (2015)

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies
por: John, Shalini, et al.
Publicado: (2011)

Insilco analysis of functionally important residues in folate receptors
por: Ramamoorthy, Kalidoss, et al.
Publicado: (2007)

Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches
por: Rehman, Hafiz Muzzammel, et al.
Publicado: (2023)

3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors
por: Kumar, Vikas, et al.
Publicado: (2022)

Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations
por: Polishchuk, Pavel, et al.
Publicado: (2019)

Identification of Novel HBV/HDV Entry Inhibitors by Pharmacophore- and QSAR-Guided Virtual Screening
por: Kirstgen, Michael, et al.
Publicado: (2021)

Identification of Human Dihydroorotate Dehydrogenase Inhibitor by a Pharmacophore-Based Virtual Screening Study
por: Galati, Salvatore, et al.
Publicado: (2022)

Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold
por: Elseginy, Samia A., et al.
Publicado: (2021)

Structure-based pharmacophore modeling, virtual screening, and molecular dynamics simulation studies for identification of Plasmodium falciparum 5-aminolevulinate synthase inhibitors
por: Oduselu, Gbolahan O., et al.
Publicado: (2023)

Identification of novel STAT3 inhibitors for liver fibrosis, using pharmacophore-based virtual screening, molecular docking, and biomolecular dynamics simulations
por: Rafiq, Huma, et al.
Publicado: (2023)

Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay
por: Jang, Cheongyun, et al.
Publicado: (2018)

Identification of Novel Mitochondrial Pyruvate Carrier Inhibitors by Homology Modeling and Pharmacophore-Based Virtual Screening
por: Hegazy, Lamees, et al.
Publicado: (2022)

Pharmacophore feature-based virtual screening for finding potent GSK-3 inhibitors using molecular docking and dynamics simulations
por: Chauhan, Navneet, et al.
Publicado: (2016)

Based on the Virtual Screening of Multiple Pharmacophores, Docking and Molecular Dynamics Simulation Approaches toward the Discovery of Novel HPPD Inhibitors
por: Fu, Ying, et al.
Publicado: (2020)

In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening
por: Hadizadeh, Farzin, et al.
Publicado: (2022)

Drug Design by Pharmacophore and Virtual Screening Approach
por: Giordano, Deborah, 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)

Multitargeted Virtual Screening and Molecular Simulation of Natural Product-like Compounds against GSK3β, NMDA-Receptor, and BACE-1 for the Management of Alzheimer’s Disease
por: Iqbal, Danish, et al.
Publicado: (2023)

Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations
por: Dhameliya, Tejas M., et al.
Publicado: (2022)

Combining Virtual Screening Protocol and In Vitro Evaluation towards the Discovery of BACE1 Inhibitors
por: Coimbra, Judite R. M., et al.
Publicado: (2020)

Identification of Novel HIV 1- Protease Inhibitors: Application of Ligand and Structure Based Pharmacophore Mapping and Virtual Screening
por: Yadav, Divya, et al.
Publicado: (2012)

Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening
por: Cruz, Josiane V., et al.
Publicado: (2018)

Identification of new inhibitors of Mdm2–p53 interaction via pharmacophore and structure-based virtual screening
por: Atatreh, Noor, et al.
Publicado: (2018)

A Search for Cyclin-Dependent Kinase 4/6 Inhibitors by Pharmacophore-Based Virtual Screening, Molecular Docking, and Molecular Dynamic Simulations
por: Susanti, Ni Made Pitri, et al.
Publicado: (2021)

Prognostic Lysosome-Related Biomarkers for Predicting Drug Candidates in Hepatocellular Carcinoma: An Insilco Analysis
por: Xu, Junxiu, et al.
Publicado: (2023)

Combining docking with pharmacophore filtering for improved virtual screening
por: Peach, Megan L, et al.
Publicado: (2009)

Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores
por: Madzhidov, Timur I., et al.
Publicado: (2020)

Pharmacophore Based Virtual Screening Approach to Identify Selective PDE4B Inhibitors
por: Gaurav, Anand, et al.
Publicado: (2017)

Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors
por: Gallego-Yerga, Laura, et al.
Publicado: (2021)

Highlights in BACE1 Inhibitors for Alzheimer's Disease Treatment
por: Coimbra, Judite R. M., et al.
Publicado: (2018)

In silico identification of novel PKC βII inhibitors: ligand and receptor based pharmacophore modeling, virtual screening, and molecular dynamics study
por: Grewal, Baljinder K, et al.
Publicado: (2012)

Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model
por: Liang, Jing-Wei, et al.
Publicado: (2019)

Virtual Lead Identification of Farnesyltransferase Inhibitors Based on Ligand and Structure-Based Pharmacophore Techniques
por: Al-Balas, Qosay A., et al.
Publicado: (2013)

Cannot write session to /tmp/vufind_sessions/sess_8sbd50ehngoprj1226mkqrbrdp