Cargando…

CoMFA, CoMSIA, HQSAR and Molecular Docking Analysis of Ionone-based Chalcone Derivatives as Antiprostate Cancer Activity

Androgen receptor has been proved to be effective site for treatment of prostate cancer. Molecular modeling methods performed on forty-three ionone based chalcones derivatives as anti-prostate cancer activity. The designed comparative molecular field analysis, comparative similarity indices analysis...

Descripción completa

Detalles Bibliográficos
Autores principales:	Sharma, R., Dhingra, N., Patil, S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Medknow Publications & Media Pvt Ltd 2016
Materias:	Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4852576/ https://www.ncbi.nlm.nih.gov/pubmed/27168682

Ejemplares similares

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)

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

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)

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)

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)

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)

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)

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)

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)

Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) Studies on α(1A)-Adrenergic Receptor Antagonists Based on Pharmacophore Molecular Alignment
por: Zhao, Xin, et al.
Publicado: (2011)

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)

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)

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

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

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 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)

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)

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)

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)

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)

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)

Deoxynortryptoquivaline: A unique antiprostate cancer agent
por: YAMAZAKI, YOHKO, et al.
Publicado: (2023)

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)

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)

Antiprostate Cancer Activity of Ineupatolide Isolated from Carpesium cernuum L.
por: Huang, Yuan-she, et al.
Publicado: (2021)

Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking
por: Yang, Jiawen, et al.
Publicado: (2019)

Cloning and characterization of enoate reductase with high β-ionone to dihydro-β-ionone bioconversion productivity
por: Zhang, Xuesong, et al.
Publicado: (2018)

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

Enzymatic and Nonenzymatic Electrochemical Interaction of Abiraterone (Antiprostate Cancer Drug) with Multiwalled Carbon Nanotube Bioelectrodes
por: Aliakbarinodehi, Nima, et al.
Publicado: (2016)

Predictive Modeling of Antioxidant Coumarin Derivatives Using Multiple Approaches: Descriptor-Based QSAR, 3D-Pharmacophore Mapping, and HQSAR
por: Mitra, Indrani, et al.
Publicado: (2013)

A Predictive HQSAR Model for a Series of Tricycle Core Containing MMP-12 Inhibitors with Dibenzofuran Ring
por: Shamsara, Jamal, et al.
Publicado: (2014)

Virchowbund fordert Bonus für MFA
por: Riehl, Anna
Publicado: (2021)

Antiproliferative and Apoptotic Effects of a Specific Antiprostate Stem Cell Single Chain Antibody on Human Prostate Cancer Cells
por: Nejatollahi, Foroogh, et al.
Publicado: (2013)

Ionone Is More than a Violet’s Fragrance: A Review
por: Aloum, Lujain, et al.
Publicado: (2020)

β-Ionone: Its Occurrence and Biological Function and Metabolic Engineering
por: Paparella, Antonello, et al.
Publicado: (2021)

Homeoffice für MFA? Ärzte sind skeptisch
por: Wallenfels, Matthias
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_lp433p7vjgrlnb8gate6e05116