Increased incidence of candidiasis has been reported in immunocompromised patients. The aim of the present study was to predict the molecular interaction between pyrrolo[1,2-a]pyraziiie-1,4-dione hexahydro-3-(phcnylmethyl) (PPDHP) extracted from Streptomyces sp. V1TPK9 against the selected candidal proteins responsible for virulence. The compound PPDHP was extracted from Streptomyces sp. VITPK9 and identified by spectral studies. The interaction of the lead compound with the selected target proteins 2V7N, 2QZW, 1IYK, 2WUZ and 2X7N was analysed by molecular docking studies. The anticandidal activity (MIC) of the compound against the selected Candida species was < 2 μg/ mL. Among the target proteins, the compound showed least binding energy of -283.58 kcal/mol against 11YK, -250.62 kcal/mol against 2WUZ and -188.91 kcal/mol against 2X7Q. Both in vitro and in silico studies with the compound suggest that the lead could be used as anticandidal compound against candidiasis. © 2015 Scientific Publishers. All Rights Reserved.