title: Analysis of physico-chemical properties of substrates of ABC and MFS multidrug transporters of pathogenic Candida albicans.
abstract: In this study, we have explored the structure activity relationships of substrates of two major, promiscuous, multidrug transporters of an opportunistic human pathogen Candida albicans namely, CaCdr1p and CaMdr1p. To differentiate between substrates and non-substrates, the susceptibilities of the Saccharomyces cerevisiae strains over-expressing CaCdr1p or CaMdr1p were determined for 67 structurally diverse xenobiotics. A comparison of physico-chemical indices of these tested compounds enabled identification of molecular descriptors such as, degree of hydrophobicity (MLogP), geometrical descriptor (DISPv), molecular edge descriptor (MDEC.12 and MDEC.13) and 3D-Morse descriptors, that allowed their segregation into substrates and non-substrates for both the transporter proteins. Taken together, present study provides first evidence of chemical basis of substrate specificities of two clinically relevant multidrug transporters of an opportunistic human pathogen C. albicans.
authors.affiliation: Membrane Biology Laboratory, School of Life Sciences, Jawaharlal Nehru University, New Mehrauli Road, New Delhi 110067, India.
authors.forename: Nidhi
authors.initials: N
authors.lastname: Puri
authors.forename: Om
authors.initials: O
authors.lastname: Prakash
authors.forename: Raman
authors.initials: R
authors.lastname: Manoharlal
authors.forename: Monika
authors.initials: M
authors.lastname: Sharma
authors.forename: Indira
authors.initials: I
authors.lastname: Ghosh
authors.forename: Rajendra
authors.initials: R
authors.lastname: Prasad
mesh_terms: D002176:Candida albicans / Q000378:metabolism*; D026901:Membrane Transport Proteins / Q000737:chemistry / Q000378:metabolism*; D012441:Saccharomyces cerevisiae / Q000378:metabolism; D013329:Structure-Activity Relationship; D013379:Substrate Specificity
chemical_list: D026901:Membrane Transport Proteins