Cargando…

Discovery of Potential Inhibitors of Aldosterone Synthase from Chinese Herbs Using Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Studies

Aldosterone synthase (CYP11B2) is a key enzyme for the biosynthesis of aldosterone, which plays a significant role for the regulation of blood pressure. Excess aldosterone can cause the dysregulation of the renin-angiotensin-aldosterone system (RAAS) and lead to hypertension. Therefore, research and...

Descripción completa

Detalles Bibliográficos
Autores principales:	Luo, Ganggang, Lu, Fang, Qiao, Liansheng, Chen, Xi, Li, Gongyu, Zhang, Yanling
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Hindawi Publishing Corporation 2016
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5065998/ https://www.ncbi.nlm.nih.gov/pubmed/27781210 http://dx.doi.org/10.1155/2016/4182595

Ejemplares similares

Discovery of Potential Inhibitors of Squalene Synthase from Traditional Chinese Medicine Based on Virtual Screening and In Vitro Evaluation of Lipid-Lowering Effect
por: Chen, Yankun, et al.
Publicado: (2018)

Virtual Screening and Molecular Dynamics Study of Potential Negative Allosteric Modulators of mGluR1 from Chinese Herbs
por: Jiang, Ludi, et al.
Publicado: (2015)

In silico Discovery of Novel FXa Inhibitors by Pharmacophore Modeling and Molecular Docking
por: Pu, Yinglan, et al.
Publicado: (2017)

Virtual Screening for Potential Allosteric Inhibitors of Cyclin-Dependent Kinase 2 from Traditional Chinese Medicine
por: Lu, Fang, 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)

Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies
por: Ghorayshian, Atefeh, 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)

Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors
por: Fei, Jia, et al.
Publicado: (2013)

Discovery of Anti-Hypertensive Oligopeptides from Adlay Based on In Silico Proteolysis and Virtual Screening
por: Qiao, Liansheng, et al.
Publicado: (2016)

Discovery of anti-MERS-CoV small covalent inhibitors through pharmacophore modeling, covalent docking and molecular dynamics simulation
por: Alamri, Mubarak A., et al.
Publicado: (2021)

mPGES-1 Inhibitor Discovery Based on Computer-Aided Screening: Pharmacophore Models, Molecular Docking, ADMET, and MD Simulations
por: Huang, Qiqi, et al.
Publicado: (2023)

Pharmacophore elucidation and molecular docking studies on phosphodiesterase-5 inhibitors
por: Radwan, Awwad Abdoh
Publicado: (2015)

The discovery of potential acetylcholinesterase inhibitors: A combination of pharmacophore modeling, virtual screening, and molecular docking studies
por: Lu, Shin-Hua, et al.
Publicado: (2011)

Pharmacophore modeling, in silico screening, molecular docking and molecular dynamics approaches for potential alpha-delta bungarotoxin-4 inhibitors discovery
por: Kumar, R. Barani, et al.
Publicado: (2015)

Ligand-based Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Discovery of Potential Topoisomerase I Inhibitors
por: Pal, Sourav, et al.
Publicado: (2019)

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)

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

Discovery of small molecules through pharmacophore modeling, docking and molecular dynamics simulation against Plasmodium vivax Vivapain-3 (VP-3)
por: Saddala, Madhu Sudhana, et al.
Publicado: (2018)

Structure-Based Discovery of ABCG2 Inhibitors: A Homology Protein-Based Pharmacophore Modeling and Molecular Docking Approach
por: Le, Minh-Tri, et al.
Publicado: (2021)

Pharmacophore-Based Screening, Molecular Docking, and Dynamic Simulation of Fungal Metabolites as Inhibitors of Multi-Targets in Neurodegenerative Disorders
por: Iqbal, Danish, et al.
Publicado: (2023)

Identification of New Potential APE1 Inhibitors by Pharmacophore Modeling and Molecular Docking
por: Lee, In Won, et al.
Publicado: (2017)

The Discovery of Potentially Selective Human Neuronal Nitric Oxide Synthase (nNOS) Inhibitors: A Combination of Pharmacophore Modelling, CoMFA, Virtual Screening and Molecular Docking Studies
por: Xu, Guanhong, et al.
Publicado: (2014)

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)

A Component Formula of Chinese Medicine for Hypercholesterolemia Based on Virtual Screening and Biology Network
por: Huo, Xiaoqian, et al.
Publicado: (2018)

Discovery of novel natural products as dual MNK/PIM inhibitors for acute myeloid leukemia treatment: Pharmacophore modeling, molecular docking, and molecular dynamics studies
por: Mohamed, Linda M., 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)

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)

Natural inhibitors of SARS-CoV-2 main protease: structure based pharmacophore modeling, molecular docking and molecular dynamic simulation studies
por: Halimi, Mohammad, et al.
Publicado: (2022)

In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches
por: Li, Rui-Juan, et al.
Publicado: (2015)

Discovery of Novel Coumarin Analogs against the α-Glucosidase Protein Target of Diabetes Mellitus: Pharmacophore-Based QSAR, Docking, and Molecular Dynamics Simulation Studies
por: Maurya, Akhilesh Kumar, et al.
Publicado: (2020)

Discovery of potential FGFR3 inhibitors via QSAR, pharmacophore modeling, virtual screening and molecular docking studies against bladder cancer
por: Ganji, Mahmoud, et al.
Publicado: (2023)

Reverse pharmacophore mapping and molecular docking studies for discovery of GTPase HRas as promising drug target for bis-pyrimidine derivatives
por: Kumar, Sanjiv, et al.
Publicado: (2018)

Pharmacophore model, docking, QSAR, and molecular dynamics simulation studies of substituted cyclic imides and herbal medicines as COX-2 inhibitors
por: Moussa, Nathalie, et al.
Publicado: (2021)

Pharmacophore modeling, docking and molecular dynamics simulation for identification of novel human protein kinase C beta (PKCβ) inhibitors
por: Starosyla, Sergiy A., et al.
Publicado: (2022)

Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods
por: Zhang, Xu, et al.
Publicado: (2016)

Pharmacophore study, molecular docking and molecular dynamic simulation of virgin coconut oil derivatives as anti-inflammatory agent against COX-2
por: Jack, Kho Swen, et al.
Publicado: (2022)

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

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

Discovery of Novel and Highly Potent Inhibitors of SARS CoV-2 Papain-Like Protease Through Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, Molecular Dynamics Simulations, and Biological Evaluation
por: Tian, Xiaoyan, et al.
Publicado: (2022)

Discovery of Novel Multi-target Inhibitor of angiotensin type 1 receptor and neprilysin inhibitors from Traditional Chinese Medicine
por: Huo, Xiaoqian, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_8kroeegbd0d12mskbrm3lel60q