Research Article
3,5-Dinitrobenzoate and 3,5-Dinitrobenzamide Derivatives: Mechanistic, Antifungal, and In Silico Studies
Table 3
Potential targets of compound 2 in C. albicans selected for modeling studies.
| | C. albicans target(a) | Description | ID |
| | Q59NQ5_CANAL(b) | Glutathione reductase | GLR1 | | HSP60_CANAL(b) | Heat shock protein 60 | HSP60 | | Q59UP8_CANAL(b) | Ammonium transporter | MEP2 | | DCOR_CANAL(b) | Ornithine decarboxylase | SPE1 | | ERG1_CANAL(b),(c) | Squalene monooxygenase | ERG1 | | KMO_CANAL(b) | Kynurenine 3-monooxygenase | BNA4 | | A0A1D8PJI5_CANAL(b) | Arylsulfatase | atsA | | HSP90_CANAL(b) | Heat shock protein 90 | HSP90 | | A0A1D8PCB9_CANAL(c) | C-8 sterol isomerase | ERG2 | | ERG6_CANAL(c) | Sterol 24-C-methyltransferase | ERG6 | | ERG7_CANAL(c) | Lanosterol synthase | ERG7 | | A0A1D8PI71_CANAL(c) | Bifunctional farnesyl-diphosphate farnesyltransferase/squalene synthase | ERG9 | | A0A1D8PH52_CANAL(c) | Acetyl-CoA C-acetyltransferase | ERG10 | | CP51_CANAL(c) | Lanosterol 14-alpha demethylase | ERG11 | | A0A1D8PEL1_CANAL(c) | Mevalonate kinase | ERG12 | | A0A1D8PTW6_CANAL(c) | 3-Hydroxy-3-methylglutaryl coenzyme a synthase | ERG13 | | A0A1D8PH78_CANAL(c) | Bifunctional (2E,6 E)-farnesyl diphosphate synthase/dimethylallyltranstransferase | ERG20 | | A0A1D8PD39_CANAL(c) | 3-Hydroxy-3-methylglutaryl coenzyme a reductase | HMG1 | | A0A1D8PLI2_CANAL(c) | Isopentenyl-diphosphate delta-isomerase | IDI1 | | A0A1D8PC43_CANAL(c) | Diphosphomevalonate decarboxylase | MVD |
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(a) UniProt entry name. (b) Predicted from the computational target fishing approach. (c) Part of the ergosterol synthesis pathway.
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