Abstract
AbstractThe ERG proteins and enzymes of the ergosterol biosynthetic pathway has been the subject of intensive investigation as a target for several classes of antifungal agents used to treat C. albicans infection. Over the past few decades, a number of drugs and inhibitors with wide spectrum of activity, low toxicity and defined targets have been introduced. Several lines of evidence suggest that allylamines targets squalene epoxidase (ERG1), morpholines affects sterol C8-C7 isomerase (ERG2) and sterol reductase (ERG24), azoles inhibits a cytochrome P450 (ERG11) responsible for the 14 α-demethylation of lanosterol and C-5 sterol desaturase (ERG3) and polyenes binds to ergosterol that leads to the damage of cell plasma membrane, ensuing in leakage of intracellular ions. However, little information about the experimental structure (X-ray and NMR) of proteins from ergosterol biosynthetic pathway is available in RCSB Protein Databank (PDB). Since ERG proteins play a key role in metabolic pathway of ergosterol, their 3D structures are essential to determine most of their functions. Homology modeling approach was employed for comparative modeling. Modeller 9v7 and I-Tasser programs were utilized to serve our purpose. The modeled proteins were further validated by Procheck, Verify-3D, ERRAT and PROVE servers. Expasy’s Prot-param server and Cys_rec tool was used for physico-chemical and functional characterization of these proteins. Studies of secondary structure of these proteins were carried out using computational program, Profunc. Swiss-pdb viewer was used to visualize and analyze homology derived structures. The modeled structures of 12 ERG proteins have been submitted and are available in Protein Model Database (PMDB) so that they become accessible to other users for further studies.
Highlights
Candida albicans, a fungus normally present on the skin and in mucous membranes such as the vagina, mouth, or rectum
Molecular weight was observed between the range of 8773.0 - 83998.8 KDa for all ERG proteins in Candida albicans
Affects throat, intestines, and heart valves via travelling through blood stream. Commensal and a constituent of the normal gut flora comprising microorganisms that live in the human mouth and gastrointestinal tract. Lives in 80% of the human population without causing harmful effects, overgrowth of the fungus results in candidiasis
Summary
Candida albicans, a fungus normally present on the skin and in mucous membranes such as the vagina, mouth, or rectum. Affects throat, intestines, and heart valves via travelling through blood stream. Commensal and a constituent of the normal gut flora comprising microorganisms that live in the human mouth and gastrointestinal tract. Lives in 80% of the human population without causing harmful effects, overgrowth of the fungus results in candidiasis Affects throat, intestines, and heart valves via travelling through blood stream. Commensal and a constituent of the normal gut flora comprising microorganisms that live in the human mouth and gastrointestinal tract. Lives in 80% of the human population without causing harmful effects, overgrowth of the fungus results in candidiasis
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