Docking study and three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of transforming growth factor-ß type I receptor kinase inhibitors

QR Code

Docking study and three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of transforming growth factor-ß type I receptor kinase inhibitors

Bibliographic Details
Main Authors:	tang, M., Zhou, L., Zuo, Zhili, Mancera, Ricardo, Song, H., Tang, X., Ma, X.
Format:	Journal Article
Published:	Wiley - VCH Verlag GmbH & Co. KGaA 2009
Online Access:	http://www.wiley-vch.de/publish/en/journals/alphabeticIndex/2022/ http://hdl.handle.net/20.500.11937/22349

Similar Items

3D-QSAR studies of checkpoint kinase 1 inhibitors based on molecular docking and CoMFA
by: Wang, R., et al.
Published: (2010)

Molecular Docking and 3-D QSAR Studies of Substituted 2,2-Bisaryl-Bicycloheptanes as Human 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors
by: Ma, X., et al.
Published: (2008)

Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking
by: Yadav, D., et al.
Published: (2017)

Identification of novel 5-lipoxygenase-activating protein (FLAP) inhibitors by an integrated method of pharmacophore virtual screening, docking, QSAR and ADMET analyses
by: Rullah, Kamal, et al.
Published: (2023)

Group-based quantitative structure-activity relationship (G-QSAR) analysis and molecular docking of B-cell lymphoma two (BCL-2) inhibitors
by: Abdul Samat, Nadia Hanis, et al.
Published: (2013)

Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors
by: Xu, W., et al.
Published: (2010)

Ligand-protein docking with water molecules
by: Roberts, Benjamin, et al.
Published: (2008)

Calculations of the free energy of interaction of the cFos-cJun coiled coil: effects of the solvation model and the inclusion of polarization effects
by: Zuo, Zhili, et al.
Published: (2010)

Does the sars-cov-2 spike protein receptor binding domain interact effectively with the dpp4 (Cd26) receptor? A molecular docking study
by: Cameron, Kirsten, et al.
Published: (2021)

Antibacterial Activities of Carbapenem Derivatives and Quantitative Structure - Activity Relationship for Drug Design
by: Liu, J., et al.
Published: (2008)

Ligand-protein cross-docking with water molecules
by: Thilagavathi, R., et al.
Published: (2010)

Application of group-based QSAR and molecular docking in the design of insulin-like growth factor antagonists
by: Abdullahi, Abubakar Danjuma, et al.
Published: (2015)

QSAR study of platelet-activating factor (PAF) receptor binding antagonist
by: Abdullah, Nor Hayati, et al.
Published: (2013)

Activation of phosphatidylinositol 3-kinase ß by the platelet collagen receptors integrin a2ß1 and GPVI: The role of Pyk2 and c-Cbl
by: Manganaro, D., et al.
Published: (2015)

QSAR study of flavonoids as platelet-activating factor (PAF) receptor binding antagonists
by: Abdullah, Nor Hayati, et al.
Published: (2014)

Benzalhydantoin derivative-based inhibitors of eight receptor tyrosine kinases: synthesis, in-vitro, and in-silico study
by: Muhammad Naufal,, et al.
Published: (2025)

Free Energy Calculations of the Interactions of c-Jun-based Synthetic Peptides with the c-Fos Protein
by: Zuo, Zhili, et al.
Published: (2012)

Molecular dynamics simulations of mixed DOPC-ß-sitosterol bilayers and their interactions with DMSO
by: Hughes, Zak, et al.
Published: (2013)

Synthesis, biological evaluation and QSAR studies of diarylpentanoid analogues as potential nitric oxide inhibitors
by: Mohd Faudzi, S. M., et al.
Published: (2015)

An investigation into the effects of the epidermal growth factor receptor tyrosine kinase inhibitor "Gefitinib" on human breast cancer
by: Gutteridge, Eleanor
Published: (2010)

Effects of 4 multitargeted receptor tyrosine kinase inhibitors on regional hemodynamics in conscious, freely moving rats
by: Carter, Joanne J., et al.
Published: (2016)

Linifanib – a multi-targeted receptor tyrosine kinase inhibitor and a low molecular weight gelator
by: Marlow, Maria, et al.
Published: (2015)

Role and regulation of phosphatidylinositol 3-kinase ß in platelet integrin α2ß1 signaling
by: Consonni, A., et al.
Published: (2012)

Using 3D-QSAR to predict the separation efficiencies of flotation collectors: Implications for rational design of non-polar side chains
by: Yang, X., et al.
Published: (2018)

Resistance mechanisms causing first-line epidermal growth factor receptor-tyrosine kinase inhibitor treatment failure
by: Chai, C.S., et al.
Published: (2017)

Identification of β-cycloidal-derived mono-carbonyl curcumin analogs as potential interleukin-6 inhibitor to treat wound healing through QSAR, molecular docking, MD simulation, MM-GBSA calculation
by: Forid, Md Shaekh, et al.
Published: (2024)

2024_Association of BDNF(RS6265) with Obesity in Adult Pakistani Population and Its Molecular Docking with Tropomyocin Receptor Kinase B (TrkB)

Inhibition of transforming growth factor-β via the activin receptor-like kinase-5 inhibitor attenuates pulmonary fibrosis
by: Koh, Rhun Yian, et al.
Published: (2015)

Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors.
by: John, S., et al.
Published: (2011)

The molecular binding interactions of inhibitors and activators of phosphoenolpyruvate carboxylase
by: Mancera, Ricardo, et al.
Published: (2005)

Development of antidepressant drugs through targeting a4ß2-nicotinic acetylcholine receptors
by: Zhang, H., et al.
Published: (2016)

In silico analysis, molecular modeling and docking of pseudomonas aeruginosa putative choline kinase
by: Almakfoukh, Abdonasr Mohamed Ali
Published: (2021)

In silico homology modelling and identification of Tousled-like kinase 1 inhibitors for glioblastoma therapy via high throughput virtual screening protein-ligand docking
by: Kamariah Ibrahim,, et al.
Published: (2018)

The effects of cryosolvents on DOPC-ß-sitosterol bilayers determined from molecular dynamics simulations
by: Hughes, Zak, et al.
Published: (2013)

Structure-Guided Design of a Highly Selective Glycogen Synthase Kinase-3ß Inhibitor: A Superior Neuroprotective Pyrazolone Showing Antimania Effects
by: Chen, W., et al.
Published: (2011)

Case Series of Small Cell Lung Cancer Transformation as Resistance Mechanism to Epidermal Growth Factor Receptor-Tyrosine Kinase Inhibitor
by: Liam, C, et al.
Published: (2017)

Prediction of anticancer activity of aliphatic nitrosoureas using quantum chemical quantitative structure activity relation (QSAR) methods
by: Noorbatcha, Ibrahim Ali, et al.
Published: (2011)

Real-time analysis of the binding of fluorescent VEGF₁₆₅a to VEGFR2 in living cells: Effect of receptor tyrosine kinase inhibitors and fate of internalized agonist-receptor complexes
by: Kilpatrick, Laura E., et al.
Published: (2017)

In silico analysis, structural modelling and molecular docking of putative Klebsiella pneumoniae choline kinase
by: Albaskeni, Abdulrhman Mahmoud
Published: (2021)

Design and synthesis of a novel mPGES-1 lead inhibitor guided by 3D-QSAR CoMFA
by: Rullah, Kamal, et al.
Published: (2019)