PDTCM Psoriasis Database of Traditional Chinese Medicine



  The PDTCM (Psoriasis Dababase of Traditional Chinese Medicine) is designed to be a comprehensive resource for virtual screening and drug discovery from Traditional Chinese Medicine in Chinese Pharmacopeia and Chinese Materia Medica about psoriasis. In the current version, PDTCM contains 34373 natural chemicals and their identification information (chemical name, CAS registry number, molecular formula, molecular weight, international chemical identifier (InChI) and SMILES, molecular properties (AlogP, Number of Hydrogen Bond Acceptor, Number of Hydrogen Bond Donors, etc.), docking results between all molecules and 44 target proteins, psoriatic-related diseases, pathways and clinical biomarkers. Furthermore, it covers 38 therapeutic formulas from both classical and clinical works and associated 1424 Chinese herbs. The data (3D structures in sdf format, and docking results in tabular form, etc.) can be searched, displayed as well as downloaded easily and efficiently.

Statistics of molecular properties of natural products in PDTCM

Molecular properties Mean StdDev MinMedian Max
Molecular_Mass 488.04 274.78 30.05 390.12 3738.3
Molecular_Volume 331.37 177.23 27.43 287.43 2076.52
ALogP 2.50 3.24 -18.69 2.37 39.85
Molecular_Weight 488.37 274.94 30.07 426.72 3740.53
Num_RotatableBonds 6.42 6.12 0 5 66
Num_Rings 4.09 2.47 0 4 32
Num_AromaticRings 0.99 1.31 0 0 20
Num_H_Acceptors 8.36 7.23 0 6 104
Num_H_Donors 4.07 4.42 0 2 57
Molecular_SurfaceArea 474.78 254.94 52.76 416.13 3167.48
Molecular_PolarSurfaceArea 134.68 117.32 0 97.61 1743.72
Molecular_FractionalPolarSurfaceArea 0.27 0.13 0 0.26 0.91
Molecular_SASA 691.45 292.65 183.29 628.08 3839.17
Molecular_PolarSASA 216.74 180.82 0 159.43 2739.85
Molecular_FractionalPolarSASA 0.29 0.15 0 0.26 0.97
Molecular_SAVol 598.47 250.69 158.28 544.2 3472.1
Dipole_X -0.07 2.75 -53.3 -0.03 47.04
Dipole_Y 0.04 2.83 -41.93 -0.01 27.64


  The PDTCM was supported by the National Key Technology R&D Program for the12th Five-year Plan of Ministry of Science and Technology, China (2013BAI02B03); Team project of Natural Science Foundation of Guangdong Province (S2013030011515); Guangdong Science and Technology project (2013B090700015,2016A020226010); The Financial Industry Technology Research Development Program of Guangdong Province of China [2011(285)05]; Special research on Chinese medical Science and Technology of Guangdong Provincial Hospital of Chinese Medicine (YK2013B1N02,YN2014ZH07); The start-up support for scientific research of Xinglin Yong Scholar in Guangzhou University of Chinese Medicine (A1-AFD018161Z04).



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