AIMC Topic: Cathepsin K

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Deciphering Cathepsin K inhibitors: a combined QSAR, docking and MD simulation based machine learning approaches for drug design.

SAR and QSAR in environmental research Oct 9, 2024
Cathepsin K (CatK), a lysosomal cysteine protease, contributes to skeletal abnormalities, heart diseases, lung inflammation, and central nervous system and immune disorders. Currently, CatK inhibitors are associated with severe adverse effects, there...
Machine Learning Molecular Docking Simulation Drug Design Molecular Dynamics Simulation Quantitative Structure-Activity Relationship Cathepsin K
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The Virtual Screening of the Drug Protein with a Few Crystal Structures Based on the Adaboost-SVM.

Computational and mathematical methods in medicine Apr 3, 2016
Using the theory of machine learning to assist the virtual screening (VS) has been an effective plan. However, the quality of the training set may reduce because of mixing with the wrong docking poses and it will affect the screening efficiencies. To...
Humans Software Algorithms Reproducibility of Results Drug Design ROC Curve Imaging, Three-Dimensional Protein Binding Computational Biology Support Vector Machine Models, Statistical Proteins Databases, Protein Area Under Curve Ligands Crystallization Protein Conformation Chemistry, Pharmaceutical Hydrogen Cathepsin K Binding Sites Combinatorial Chemistry Techniques
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Pycnodysostosis with novel gene mutation and sporadic medullary thyroid carcinoma: A case report.

Medicine Dec 1, 2017
RATIONALE: Pycnodysostosis is a rare autosomal recessive skeletal dysplasia caused by a mutation in the cathepsin K encoded by cathepsin K gene (CTSK). Medullary thyroid carcinoma (MTC) is also a relatively rare type of primary thyroid carcinoma.
Humans Female Adult Thyroidectomy Thyroid Neoplasms Mutation Carcinoma, Neuroendocrine Cathepsin K Neck Dissection Pycnodysostosis
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