Related references
Note: Only part of the references are listed.Discovery of a novel DDRs kinase inhibitor XBLJ-13 for the treatment of idiopathic pulmonary fibrosis
Ying Dong et al.
ACTA PHARMACOLOGICA SINICA (2022)
Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation
Xiaoqin Tan et al.
JOURNAL OF MEDICINAL CHEMISTRY (2022)
Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches
Hossam Nada et al.
COMPUTERS IN BIOLOGY AND MEDICINE (2022)
Design of Rational JAK3 Inhibitors Based on the Parent Core Structure of 1,7-Dihydro-Dipyrrolo [2,3-b:3′,2′-e] Pyridine
Yihao Li et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)
Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations
Que-Huong Tran et al.
PLOS ONE (2022)
Discovery of Novel HPK1 Inhibitors Through Structure-Based Virtual Screening
Huizhen Ge et al.
FRONTIERS IN PHARMACOLOGY (2022)
Discovery of 4-amino-1H-pyrazolo [3,4-d] pyrimidin derivatives as novel discoidin domain receptor 1 (DDR1) inhibitors
Ru Dong et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2021)
Design and Synthesis of DDR1 Inhibitors with a Desired Pharmacophore Using Deep Generative Models
Atsushi Yoshimori et al.
CHEMMEDCHEM (2021)
DDR1 and DDR2: a review on signaling pathway and small molecule inhibitors as an anticancer agent
Gurubasavaraja Swamy Purawarga Matada et al.
MEDICINAL CHEMISTRY RESEARCH (2021)
gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS
Mario S. Valdes-Tresanco et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Pharmacophore screening, molecular docking, ADMET prediction and MD simulations for identification of ALK and MEK potential dual inhibitors
Haoran Zhang et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Inhibitors of Discoidin Domain Receptor (DDR) Kinases for Cancer and Inflammation
William A. Denny et al.
BIOMOLECULES (2021)
The Journey of DDR1 and DDR2 Kinase Inhibitors as Rising Stars in the Fight Against Cancer
Ahmed Elkamhawy et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2021)
Ligand-based pharmacophore mapping and virtual screening for identification of potential discoidin domain receptor 1 inhibitors
Ramar Vanajothi et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Discovery of VU6015929: A Selective Discoidin Domain Receptor 1/2 (DDR1/2) Inhibitor to Explore the Role of DDR1 in Antifibrotic Therapy
Daniel E. Jeffries et al.
ACS MEDICINAL CHEMISTRY LETTERS (2020)
Design and Optimization of 3′-(Imidazo[1,2-α]pyrazin-3-yl)-[1,1′-biphenyl]-3-carboxamides as Selective DDR1 Inhibitors
Cheng Mo et al.
ACS MEDICINAL CHEMISTRY LETTERS (2020)
Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
Yi Zhang et al.
MOLECULES (2020)
Docking-based virtual screening of TβR1 inhibitors: evaluation of pose prediction and scoring functions
Shuai Wang et al.
BMC CHEMISTRY (2020)
Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening
Yuwei Wang et al.
FRONTIERS IN PHARMACOLOGY (2020)
Idiopathic pulmonary fibrosis: Molecular mechanisms and potential treatment approaches
Daniel S. Glass et al.
RESPIRATORY INVESTIGATION (2020)
2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy
Dongsheng Zhu et al.
JOURNAL OF MEDICINAL CHEMISTRY (2019)
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Alex Zhavoronkov et al.
NATURE BIOTECHNOLOGY (2019)
DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome
Hans Richter et al.
ACS CHEMICAL BIOLOGY (2019)
What Makes a Kinase Promiscuous for Inhibitors?
Sonya M. Hanson et al.
CELL CHEMICAL BIOLOGY (2019)
ProTox-II: a webserver for the prediction of toxicity of chemicals
Priyanka Banerjee et al.
NUCLEIC ACIDS RESEARCH (2018)
Inhibition of EP300 and DDR1 synergistically alleviates pulmonary fibrosis in vitro and in vivo
Jia Tao et al.
BIOMEDICINE & PHARMACOTHERAPY (2018)
Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-isopropyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2
Zhen Wang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2018)
Synthesis and biological evaluation of novel dasatinib analogues as potent DDR1 and DDR2 kinase inhibitors
Lu Liu et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2017)
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Jing Huang et al.
NATURE METHODS (2017)
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina et al.
SCIENTIFIC REPORTS (2017)
p21 mediates macrophage reprogramming through regulation of p50-p50 NF-κB and IFN-β
Gorjana Rackov et al.
JOURNAL OF CLINICAL INVESTIGATION (2016)
Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors
Zhen Wang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery
Sandeepkumar Kethiwale et al.
DRUG DISCOVERY TODAY (2015)
Discoidin domain receptors (DDRs): Potential implications in atherosclerosis
Gui-Xia Ju et al.
EUROPEAN JOURNAL OF PHARMACOLOGY (2015)
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden et al.
EXPERT OPINION ON DRUG DISCOVERY (2015)
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
Douglas E. V. Pires et al.
JOURNAL OF MEDICINAL CHEMISTRY (2015)
Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors
Christopher W. Murray et al.
ACS MEDICINAL CHEMISTRY LETTERS (2015)
Structural Mechanisms Determining Inhibition of the Collagen Receptor DDR1 by Selective and Multi-Targeted Type II Kinase Inhibitors
Peter Canning et al.
JOURNAL OF MOLECULAR BIOLOGY (2014)
Discoidin domain receptors in disease
Corina M. Borza et al.
MATRIX BIOLOGY (2014)
Discovery of a Potent and Selective DDR1 Receptor Tyrosine Kinase Inhibitor
Hyung-Gu Kim et al.
ACS CHEMICAL BIOLOGY (2013)
Discovery and Optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)-ethynyl)benzamides as Novel Selective and Orally Bioavailable Discoidin Domain Receptor 1 (DDR1) Inhibitors
Mingshan Gao et al.
JOURNAL OF MEDICINAL CHEMISTRY (2013)
Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors
S. Gharaghani et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2013)
Discoidin domain receptor tyrosine kinases: new players in cancer progression
Rajeshwari R. Valiathan et al.
CANCER AND METASTASIS REVIEWS (2012)
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
Michael M. Mysinger et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
Marcus D. Hanwell et al.
JOURNAL OF CHEMINFORMATICS (2012)
Open Babel: An open chemical toolbox
Noel M. O'Boyle et al.
JOURNAL OF CHEMINFORMATICS (2011)
Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
Oleg Trott et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
CHARMM General Force Field: A Force Field for Drug-Like Molecules Compatible with the CHARMM All-Atom Additive Biological Force Fields
K. Vanommeslaeghe et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
Enhancement of pituitary adenoma cell invasion and adhesion is mediated by discoidin domain receptor-1
Daizo Yoshida et al.
JOURNAL OF NEURO-ONCOLOGY (2007)
Discoidin domain receptor 1-deficient mice are resistant to bleomycin-induced lung fibrosis
Carmel Avivi-Green et al.
AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE (2006)
Sensing extracellular matrix: An update on discoidin domain receptor function
Wolfgang F. Vogel et al.
CELLULAR SIGNALLING (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Glide: A new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening
TA Halgren et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Expression of discoidin domain receptor 1 tyrosine kinase on the human bronchial epithelium
O Sakamoto et al.
EUROPEAN RESPIRATORY JOURNAL (2001)
The Protein Data Bank
HM Berman et al.
NUCLEIC ACIDS RESEARCH (2000)