Computational studies of difference in binding modes of peptide and non-peptide inhibitors to MDM2/MDMX based on molecular dynamics simulations

International Journal of Molecular Sciences

Volumn 13, Issue 2, 2012, Pages 2176-2195

  Chen, Jianzhong ^a,b   Zhang, Dinglin ^a   Zhang, Yuxin ^a   Li, Guohui ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b SHANDONG JIAOTONG UNIVERSITY   (China)

Author keywords

Alanine scanning; Binding free energy; Molecular dynamics simulation; P53 MDM2 MDMX interaction

Indexed keywords

NON PEPTIDE INHIBITOR WK23; PEPTIDE INHIBITOR PDI6W; PROTEIN INHIBITOR; PROTEIN MDM2; PROTEIN MDMX; PROTEIN P53; UNCLASSIFIED DRUG; LIGANDS; MDM2 PROTEIN, HUMAN; MDM4 PROTEIN, HUMAN; NUCLEAR PROTEINS; PEPTIDES; PROTEIN BINDING; PROTO-ONCOGENE PROTEINS; PROTO-ONCOGENE PROTEINS C-MDM2;

ARTICLE; BINDING AFFINITY; CALCULATION; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENERGY BINDING; ENERGY METABOLISM; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR STABILITY; PROTEIN INTERACTION; AMINO ACID SEQUENCE; ANTAGONISTS AND INHIBITORS; CHEMISTRY; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; METABOLISM; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; SEQUENCE HOMOLOGY, AMINO ACID;

AMINO ACID SEQUENCE; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; NUCLEAR PROTEINS; PEPTIDES; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; PROTO-ONCOGENE PROTEINS; PROTO-ONCOGENE PROTEINS C-MDM2; SEQUENCE HOMOLOGY, AMINO ACID;

EID: 84863248788     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms13022176     Document Type: Article

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