Cargando…

Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) Studies on α(1A)-Adrenergic Receptor Antagonists Based on Pharmacophore Molecular Alignment

The α(1A)-adrenergic receptor (α(1A)-AR) antagonist is useful in treating benign prostatic hyperplasia, lower urinary tract symptoms, and cardiac arrhythmia. Three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were performed on a set of α(1A)-AR antagonists of N-aryl and...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zhao, Xin, Chen, Minsheng, Huang, Biyun, Ji, Hong, Yuan, Mu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2011
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3211024/ https://www.ncbi.nlm.nih.gov/pubmed/22072933 http://dx.doi.org/10.3390/ijms12107022

Ejemplares similares

CoMFA, CoMSIA, HQSAR and Molecular Docking Analysis of Ionone-based Chalcone Derivatives as Antiprostate Cancer Activity
por: Sharma, R., et al.
Publicado: (2016)

New molecular insights into the tyrosyl-tRNA synthase inhibitors: CoMFA, CoMSIA analyses and molecular docking studies
por: Li, Shengrong, et al.
Publicado: (2017)

CoMFA and CoMSIA 3D-QSAR analysis of DMDP derivatives as anti-cancer agents
por: Srivastava, Vivek, et al.
Publicado: (2008)

CoMFA, CoMSIA and Eigenvalue Analysis on Dibenzodioxepinone and Dibenzodioxocinone Derivatives as Cholesteryl Ester Transfer Protein Inhibitors
por: Xiong, Xu-qiong, et al.
Publicado: (2008)

Improvement of the Prediction Power of the CoMFA and CoMSIA Models on Histamine H3 Antagonists by Different Variable Selection Methods
por: Ghasemi, Jahan B., et al.
Publicado: (2012)

Structural Insights on Hyp-Gly-Containing Peptides as Antiplatelet Compounds through Topomer CoMFA and CoMSIA Analysis
por: Yang, Yijie, et al.
Publicado: (2023)

3D-QSAR Studies on Thiazolidin-4-one S1P(1) Receptor Agonists by CoMFA and CoMSIA
por: Qian, Chuiwen, et al.
Publicado: (2011)

Pyrrolo[3,2-d]pyrimidine Derivatives as Type II Kinase Insert Domain Receptor (KDR) Inhibitors: CoMFA and CoMSIA Studies
por: Wu, Xiao-Yun, et al.
Publicado: (2012)

Insights into the Structural Requirements of Potent Brassinosteroids as Vegetable Growth Promoters Using Second-Internode Elongation as Biological Activity: CoMFA and CoMSIA Studies
por: Ferrer-Pertuz, Karoll, et al.
Publicado: (2017)

Structure-Activity Relationship Studies Based on 3D-QSAR CoMFA/CoMSIA for Thieno-Pyrimidine Derivatives as Triple Negative Breast Cancer Inhibitors
por: Kim, Jin-Hee, et al.
Publicado: (2022)

3D-QSAR studies on CCR2B receptor antagonists: Insight into the structural requirements of (R)-3-aminopyrrolidine series of molecules based on CoMFA/CoMSIA models
por: Gade, Swetha, et al.
Publicado: (2012)

Structure-Activity Relationships Based on 3D-QSAR CoMFA/CoMSIA and Design of Aryloxypropanol-Amine Agonists with Selectivity for the Human β3-Adrenergic Receptor and Anti-Obesity and Anti-Diabetic Profiles
por: Lorca, Marcos, et al.
Publicado: (2018)

Exhaustive CoMFA and CoMSIA analyses around different chemical entities: a ligand-based study exploring the affinity and selectivity profiles of 5-HT(1A) ligands
por: Guariento, Sara, et al.
Publicado: (2017)

Developing a CoMSIA Model for Inhibition of COX-2 by Resveratrol Derivatives
por: Shamsara, Jamal, et al.
Publicado: (2016)

2D-SAR, Topomer CoMFA and molecular docking studies on avian influenza neuraminidase inhibitors
por: Niu, Bing, et al.
Publicado: (2018)

Discovery of MAO-B Inhibitor with Machine Learning, Topomer CoMFA, Molecular Docking and Multi-Spectroscopy Approaches
por: Zheng, Linfeng, et al.
Publicado: (2022)

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)

Integration of machine learning in 3D-QSAR CoMSIA models for the identification of lipid antioxidant peptides
por: Nha Tran, Thi Thanh, et al.
Publicado: (2023)

3D-QSAR CoMFA study of some Heteroarylpyrroles as Possible Anticandida Agents
por: Sharma, P. C., et al.
Publicado: (2008)

Three-dimensional quantitative structure activity relationship (QSAR) of cytotoxic active 3,5-diaryl-4,5-dihydropyrazole analogs: a comparative molecular field analysis (CoMFA) revisited study
por: Hamad Elgazwy, Abdel-Sattar S, et al.
Publicado: (2012)

3D-QSAR Study of Potent Inhibitors of Phosphodiesterase-4 Using a CoMFA Approach
por: Yang, Zhaoqi, et al.
Publicado: (2007)

3D-QSPR Method of Computational Technique Applied on Red Reactive Dyes by Using CoMFA Strategy
por: Mahmood, Uzma, et al.
Publicado: (2011)

Establishment of a CoMFA Model Based on the Combined Activity of Bioconcentration, Long-Range Transport, and Highest Infrared Signal Intensity and Molecular Design of Environmentally Friendly PBB Derivatives
por: Yang, Luze, et al.
Publicado: (2021)

3D-QSAR/CoMFA-Based Structure-Affinity/Selectivity Relationships of Aminoalkylindoles in the Cannabinoid CB1 and CB2 Receptors
por: Mella-Raipán, Jaime, et al.
Publicado: (2014)

2D-QSAR and 3D-QSAR/CoMSIA Studies on a Series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-Phenylethan-1-ol with Human β(3)-Adrenergic Activity
por: Apablaza, Gastón, et al.
Publicado: (2017)

Template CoMFA Generates Single 3D-QSAR Models that, for Twelve of Twelve Biological Targets, Predict All ChEMBL-Tabulated Affinities
por: Cramer, Richard D.
Publicado: (2015)

A 3D QSAR Study of Betulinic Acid Derivatives as Anti-Tumor Agents Using Topomer CoMFA: Model Building Studies and Experimental Verification
por: Ding, Weimin, et al.
Publicado: (2013)

Pharmacophore Identification and QSAR Studies on Substituted Benzoxazinone as Antiplatelet Agents: kNN-MFA Approach
por: Choudhari, Prafulla B., et al.
Publicado: (2012)

Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations
por: Wieder, Marcus, et al.
Publicado: (2016)

Molecular sampling of the allosteric binding pocket of the TSH receptor provides discriminative pharmacophores for antagonist and agonists
por: Hoyer, Inna, et al.
Publicado: (2013)

Pharmacophore model-aided virtual screening combined with comparative molecular docking and molecular dynamics for identification of marine natural products as SARS-CoV-2 papain-like protease inhibitors
por: Thangavel, Neelaveni, et al.
Publicado: (2022)

In Silico Repositioning of Dopamine Modulators with Possible Application to Schizophrenia: Pharmacophore Mapping, Molecular Docking and Molecular Dynamics Analysis
por: Mejia-Gutierrez, Melissa, et al.
Publicado: (2021)

"Thank YOU MFA"
por: Döpfer, Katharina
Publicado: (2022)

Structure based prediction of a novel GPR120 antagonist based on pharmacophore screening and molecular dynamics simulations
por: Pal, Ajay, et al.
Publicado: (2021)

Guiding Molecularly Imprinted Polymer Design by Pharmacophore Modeling
por: Derz, Wiebke, et al.
Publicado: (2021)

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)

Molecular Modeling Study of Chiral Separation and Recognition Mechanism of β-Adrenergic Antagonists by Capillary Electrophoresis
por: Li, Wuhong, et al.
Publicado: (2012)

Comparative molecular field analysis and molecular dynamics studies of the dopamine D(2) receptor antagonists without a protonatable nitrogen atom
por: Kaczor, Agnieszka A., et al.
Publicado: (2018)

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

Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sites
por: Anowar Hosen, Mohammed, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_lpruu06as9l77q32d6218r23mf