Molecular modeling of ABC transporter system - permease proteins from Microcoleus chthonoplastes PCC 7420 for effective binding against secreted aspartyl proteinases in Candida albicans - a therapeutic intervention.
Secreted aspartyl proteinases (SAP) are the key virulence factors that play a central role in the pathogenesis of Candida albicans and always are the best target for designing potent antifungal agents. Cyanobacteria have already been recognized to provide chemical and pharmacological novelty and diversity over conventional sources of drugs for combating major diseases ranging from AIDS to cancer. In this study, the two ABC transporter systems - permease proteins from Microcoleus chthonoplastes PCC 7420 were modeled and the protein-protein interaction assessment of the modeled proteins with selective secreted aspartyl proteinases of Candida albicans was attempted. The modeled proteins were assigned PMDB IDs PM0077423 and PM0077424. The secreted aspartyl protease 5 of Candida albicans showed effective interaction with ABC transporter permease protein 2 of Microcoleus chthonoplastes PCC 7420. Hydrophobic interactions were found between Tyr, Phe and Pro in chain A and Pro and Tyr in chain B. Our results of the docked complexes clearly demonstrated the potentiality of permease proteins in arresting the virulence nature of SAP of Candida albicans effectively. This study is first of its kind in addressing the therapeutic intervention of virulence nature of Candida albicans by the cyanobacterial system.
Department of Microbiology, School of Life Sciences, Bharathidasan University, Tiruchirappalli, 620024, Tamilnadu, India.
Paramasivan
P
Manivannan
Gangatharan
G
Muralitharan
D018528:ATP-Binding Cassette Transporters / Q000378:metabolism; D000465:Algorithms; D000595:Amino Acid Sequence; D000935:Antifungal Agents / Q000737:chemistry; D001426:Bacterial Proteins / Q000737:chemistry*; D002176:Candida albicans / Q000201:enzymology*; D003198:Computer Simulation; D000458:Cyanobacteria / Q000201:enzymology*; D057927:Hydrophobic and Hydrophilic Interactions; D026901:Membrane Transport Proteins / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010453:Peptide Synthases / Q000737:chemistry; D048630:Polyketide Synthases / Q000737:chemistry; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping
D018528:ATP-Binding Cassette Transporters; D000935:Antifungal Agents; D001426:Bacterial Proteins; D026901:Membrane Transport Proteins; D048630:Polyketide Synthases; D010453:Peptide Synthases; C104385:non-ribosomal peptide synthase