Results of molecular docking as descriptors to predict human serum albumin binding affinity

Journal of Molecular Graphics and Modelling

Volumn 33, Issue , 2012, Pages 35-43

  Chen, Lijuan ^a   Chen, Xin ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

Descriptor; Molecular docking; QSAR; Serum albumin binding

Indexed keywords

BINDING AFFINITIES; DATA SETS; DESCRIPTORS; DRUG DISCOVERY; HUMAN SERUM ALBUMINS; MOLECULAR DOCKING; MOLECULAR PHARMACOLOGY; PHARMACOKINETIC PROFILES; PHARMACOKINETIC PROPERTIES; PROTEIN FLEXIBILITY; QSAR; QSAR MODEL; QUANTITATIVE ESTIMATION; SERUM ALBUMIN; SUPPORT VECTOR REGRESSION MODELS;

BINDING ENERGY; BODY FLUIDS; COMPUTATIONAL CHEMISTRY; ESTIMATION; MOLECULAR BIOLOGY; MOLECULAR GRAPHICS; MOLECULAR MODELING; PHARMACOKINETICS; PROTEINS; REGRESSION ANALYSIS;

DOCKING;

ACETYLSALICYLIC ACID; AMOXICILLIN; ATENOLOL; CEFALEXIN; CEFUROXIME; CEFUROXIME AXETIL; CHLORAMPHENICOL; CHLORPROPAMIDE; CIMETIDINE; CROMOGLYCATE DISODIUM; ETOPOSIDE; FLUCYTOSINE; HUMAN SERUM ALBUMIN; HYDROCHLOROTHIAZIDE; HYDROCORTISONE; METHOTREXATE; METOPROLOL; NADOLOL; PARACETAMOL; PENICILLIN G; PHENAZONE; PREDNISOLONE; PROPYLTHIOURACIL; SALICYLIC ACID; SCOPOLAMINE; SOTALOL; TIMOLOL; TOLAZAMIDE; UNINDEXED DRUG; ZIDOVUDINE;

ACCURACY; ARTICLE; BINDING AFFINITY; DRUG PROTEIN BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SERUM ALBUMIN;

EID: 84855237775     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.11.003     Document Type: Article

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