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Cathepsins

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[Effect of jianpi-jiedu formula on tumor angiogenesis-relevant genes expression in colorectal cancer].

Zhong nan da xue xue bao. Yi xue ban = Journal of Central South University. Medical sciences 28070042
To investigate the effect of the jianpi-jiedu formula (JPJD) on the expression of angiogenesis-relevant genes in colon cancer.
 Methods: Crude extract was obtained from JPJD by water extract method. The effect of JPJD crude extract on colon cancer ce...
Animals Blotting, Western Cathepsin B Cathepsins Cell Line, Tumor Colorectal Neoplasms Down-Regulation Drugs, Chinese Herbal Gene Expression Profiling Humans Hypoxia-Inducible Factor 1, alpha Subunit Integrin alpha Chains Neovascularization, Pathologic Receptors, Urokinase Plasminogen Activator Signal Transduction Sphingomyelin Phosphodiesterase STAT3 Transcription Factor TOR Serine-Threonine Kinases Tumor Suppressor Protein p53 Up-Regulation Vascular Endothelial Growth Factor A
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Convolutional neural network scoring and minimization in the D3R 2017 community challenge.

Journal of computer-aided molecular design 29992528
We assess the ability of our convolutional neural network (CNN)-based scoring functions to perform several common tasks in the domain of drug discovery. These include correctly identifying ligand poses near and far from the true binding mode when giv...
Algorithms Binding Sites Cathepsins Databases, Protein Drug Discovery Ligands Molecular Docking Simulation Neural Networks, Computer Protein Binding Protein Conformation Structure-Activity Relationship
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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges.

Journal of computer-aided molecular design 30116918
Advanced mathematics, such as multiscale weighted colored subgraph and element specific persistent homology, and machine learning including deep neural networks were integrated to construct mathematical deep learning models for pose and binding affin...
Binding Sites Cathepsins Computer-Aided Design Crystallography, X-Ray Databases, Protein Deep Learning Drug Design Ligands Molecular Docking Simulation Protein Binding Protein Conformation Protein Kinases Receptors, Cytoplasmic and Nuclear Thermodynamics
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MathDL: mathematical deep learning for D3R Grand Challenge 4.

Journal of computer-aided molecular design 31734815
We present the performances of our mathematical deep learning (MathDL) models for D3R Grand Challenge 4 (GC4). This challenge involves pose prediction, affinity ranking, and free energy estimation for beta secretase 1 (BACE) as well as affinity ranki...
Amyloid Precursor Protein Secretases Aspartic Acid Endopeptidases Binding Sites Cathepsins Deep Learning Drug Design Humans Ligands Molecular Docking Simulation Protein Binding Small Molecule Libraries Thermodynamics
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Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S.

Journal of computer-aided molecular design 31729618
Cathepsin S (CatS), a member of cysteine cathepsin proteases, has been well studied due to its significant role in many pathological processes, including arthritis, cancer and cardiovascular diseases. CatS inhibitors have been included in D3R-GC3 for...
Binding Sites Cathepsins Computer-Aided Design Crystallography, X-Ray Databases, Protein Humans Ligands Machine Learning Molecular Docking Simulation Protein Binding Protein Conformation Thermodynamics
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Machine-Learning-Assisted Rational Design of Si─Rhodamine as Cathepsin-pH-Activated Probe for Accurate Fluorescence Navigation.

Advanced materials (Deerfield Beach, Fla.) 38781580
High-performance fluorescent probes stand as indispensable tools in fluorescence-guided imaging, and are crucial for precise delineation of focal tissue while minimizing unnecessary removal of healthy tissue. Herein, machine-learning-assisted strateg...
Carcinoma, Hepatocellular Cathepsins Fluorescent Dyes Humans Hydrogen-Ion Concentration Liver Neoplasms Machine Learning Optical Imaging Rhodamines Silicon
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