Cargando…

Pharmacophore-Based Similarity Scoring for DOCK

[Image: see text] Pharmacophore modeling incorporates geometric and chemical features of known inhibitors and/or targeted binding sites to rationally identify and design new drug leads. In this study, we have encoded a three-dimensional pharmacophore matching similarity (FMS) scoring function into t...

Descripción completa

Detalles Bibliográficos
Autores principales:	Jiang, Lingling, Rizzo, Robert C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2014
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4306494/ https://www.ncbi.nlm.nih.gov/pubmed/25229837 http://dx.doi.org/10.1021/jp506555w

Ejemplares similares

PharmDock: a pharmacophore-based docking program
por: Hu, Bingjie, et al.
Publicado: (2014)

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

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

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

Generation of structure-based pharmacophores using energetic analysis – application on fragment docking
por: Loving, Kathryn, et al.
Publicado: (2011)

Pharmacophore Modeling and Docking Studies on Some Nonpeptide-Based Caspase-3 Inhibitors
por: Sharma, Simant, et al.
Publicado: (2013)

Docking Studies of Phthalimide Pharmacophore as a Sodium Channel Blocker
por: Iman, Maryam, et al.
Publicado: (2013)

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

E-Pharmacophore mapping and docking studies on Vitamin D receptor (VDR)
por: Nagamani, Selvaraman, et al.
Publicado: (2012)

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

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

Pharmacophore and docking-based sequential virtual screening for the identification of novel Sigma 1 receptor ligands
por: Alamri, Mubarak A, et al.
Publicado: (2019)

Combination of Docking-Based and Pharmacophore-Based Virtual Screening Identifies Novel Agonists That Target the Urotensin Receptor
por: Li, Na, et al.
Publicado: (2022)

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

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

Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus
por: Kaushik, Pawan, et al.
Publicado: (2014)

Lead expansion and virtual screening of Indinavir derivate HIV-1 protease inhibitors using pharmacophoric - shape similarity scoring function
por: Shityakov, Sergey, et al.
Publicado: (2010)

Toll-Like Receptor 7 Agonists: Chemical Feature Based Pharmacophore Identification and Molecular Docking Studies
por: Yu, Hui, et al.
Publicado: (2013)

3D Pharmacophore-Based Virtual Screening and Docking Approaches toward the Discovery of Novel HPPD Inhibitors
por: Fu, Ying, et al.
Publicado: (2017)

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

Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations
por: Koch, Oliver, et al.
Publicado: (2011)

Combined Pharmacophore Modeling, Docking, and 3D-QSAR Studies of PLK1 Inhibitors
por: Lu, Shuai, et al.
Publicado: (2011)

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

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

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

Pharmacophore-Based Virtual Screening of Novel Inhibitors and Docking Analysis for CYP51A from Penicillium italicum
por: Yuan, Yongze, et al.
Publicado: (2017)

Identification of Human Leukotriene A4 Hydrolase Inhibitors Using Structure-Based Pharmacophore Modeling and Molecular Docking
por: Audat, Suaad A., et al.
Publicado: (2020)

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)

Brute-force pharmacophore assessment and scoring with Open3DQSAR
por: Tosco, P, et al.
Publicado: (2011)

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

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

3D Pharmacophoric Similarity improves Multi Adverse Drug Event Identification in Pharmacovigilance
por: Vilar, Santiago, et al.
Publicado: (2015)

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

Efficient 3D pharmacophore alignment as a tool for structure-based modeling and scoring
por: Wolber, Gerhard
Publicado: (2008)

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

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)

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)

Novel Hybrid Virtual Screening Protocol Based on Molecular Docking and Structure-Based Pharmacophore for Discovery of Methionyl-tRNA Synthetase Inhibitors as Antibacterial Agents
por: Liu, Chi, et al.
Publicado: (2013)

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)

Cannot write session to /tmp/vufind_sessions/sess_ium61lno2hacrbuu0dklqrb31c