• Sharanya Manoharan
• Suganya Jeyabasker
• Poornima Vasudevan
• Radha Mahendran

: The era of identifying antibiotics to treat bacterial endemic conditions is the beginning for the emergence of fungal infections as a common health threat among the population. Infections caused by fungi are superficial, cutaneous and sub-cutaneous infections of the skin, rhinosinusitis, mycetism, mycotoxicosis, otomycosis and occulomycosis. Cutaneous fungal infections are often divided into ‘superficial’ and ‘deep’ forms. The existing classes of antifungal agents are polyenes, azoles, pyrimidines, allylamines, candins and the drug griseofulvin, each targeting the fungal cell with their unique mode of action. Long course administration of drugs has its own effect on the decrease in fungal sensitivity to the antifungal agents. Natural plant products, in general are recognized as healthier than manufactured medicines and also medicinal plants are the reservoir of small molecules, hence tracking the activity of the plants and identifying the compounds with specific activity may help in identifying the candidate inhibitors. QSAR study was employed to determine the antifungal biological activity of the plant compounds which obeyed the Lipinski’s rule of five, determined through QED and molinspiration. Among 300 compounds, only 52 showed drug-likeness. Further on QSAR analysis, the compounds obtusin, thymohydroquinone and aloe emodin exhibited antifungal property when determined with the descriptors like molecular volume, molecular weight, polar surface area, number of rotatable bonds, number of aromatic rings, donor and acceptor. These three compounds would be explored for future perspectives like docking studies and pharmacophore mapping.

Fungal skin infections, Antifungal Plants, QED, Molinspiration, Drug-likeness, QSAR.

"Virtual Screening and in silico Determination of Antifungal Property of Medicinal Plant Compounds Using QSAR Studies", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 5, page no.77-82, May-2019, Available :http://www.jetir.org/papers/JETIRBK06014.pdf

"Virtual Screening and in silico Determination of Antifungal Property of Medicinal Plant Compounds Using QSAR Studies", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 5, page no. pp77-82, May-2019, Available at : http://www.jetir.org/papers/JETIRBK06014.pdf