Molecular modeling, dynamics, and an insight into the structural inhibition of cofactor independent phosphoglycerate mutase isoform 1 from Wuchereria bancrofti using cheminformatics and mutational studies

Journal of Biomolecular Structure and Dynamics

Volumn 31, Issue 7, 2013, Pages 765-778

  Sharma, Om Prakash ^a   Vadlamudi, Yellamandayya ^a   Liao, Qinghua ^b   Strodel, Birgit ^b   Kumar, Muthuvel Suresh ^a  

^a PONDICHERRY UNIVERSITY   (India)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

MM GBSA; Molecular docking; Molecular dynamics simulation; Molecular modeling; Phosphoglycerate mutase; Virtual screening

Indexed keywords

ANTHELMINTIC AGENT; AZANIUM PYRROLIDINE 1 CARBODITHIOIC ACID; BISPHOSPHOGLYCERATE MUTASE; BISPHOSPHOGLYCERATE MUTASE 1; CYCLOLEUCYLGLYCINE; ENOLASE; ENZYME INHIBITOR; HISTAMINE; INDEPENDENT PHOSPHOGLYCERATE MUTASE; LACTACYSTIN BETA LACTONE; MECYSTEINE; METHYL(PHENYL THIO)ACETIC ACID; N ACETYLTRYPTOPHAN; PHOSPHOGLYCERATE KINASE; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; CATALYSIS; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DRUG SCREENING; ENZYME ANALYSIS; ENZYME INHIBITION; FILARIASIS; GENE; GENE IDENTIFICATION; IPGM GENE; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MUTATIONAL ANALYSIS; NONHUMAN; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN DATABASE; PROTEIN EXPRESSION; PROTEIN FUNCTION; PROTEIN STABILITY; PROTEIN TERTIARY STRUCTURE; SEQUENCE ANALYSIS; STRUCTURAL BIOINFORMATICS; STRUCTURAL HOMOLOGY; VIRTUAL REALITY; WUCHERERIA BANCROFTI;

AMINO ACID SEQUENCE; ANIMALS; BINDING SITES; ISOENZYMES; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MUTATION; PHOSPHOGLYCERATE MUTASE; PROTEIN CONFORMATION; WUCHERERIA BANCROFTI;

EID: 84880227818     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2012.709460     Document Type: Article

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