Identification of effective plant extracts against candidiasis: an in silico and in vitro approach

Abstract Background Globally, millions of people suffer from repeated fungal infections affecting the skin, keratinized tissues, and mucosal membranes. Approximately 1.7 million cases result in death with an elevated incidence rate among immunocompromised that may later severe infections. Among causative agents, Candida albicans are most prevalent fungi inducing subcutaneous to invasive candidiasis. Although they commensals human body alteration gut or prolonged treatments results Several virulence proteins C. involved secreted aspartic proteases2 (SAP2) plays important role them by causing damage reconstituted epithelium. In present study, phytochemicals Heliotropium indicum , Grona triflora, Ziziphus mauritiana, Atalantia racemosa, Coccinia grandis, Caryota urens, Aristolochia bracteolata, Evolvulus alsinoides, Pyrus communis Commelina benghalensis were studied against SAP2 help bioinformatic tools understand their binding efficiency. Results The phytochemical structures retrieved PubChem database target protein structure was PDB ID:3PVK. ADME profiling for performed Qikprop module, followed docking using Schrodinger software. Docking studies showed Indicine- N -Oxide H. scored significant glide score − 5.54 kcal/mol. Finally, antifungal conducted several extracts plants containing considerable scores on studies. Ethyl acetate leaf extract prominently inhibited growth when compared control. Conclusion Identification effective therapeutic candidates treatment infection is facilitated potential hinder interaction phytocompounds targets paves a way developing novel drug.