Drug Repurposing: In Silico Modeling of Mucor Mycosis
Bharat Kwatra, Barshana Bhattacharya, Tanvi Khokhawat, Aaron Raphael Jes, Monish Bhati, Suniti Ahuja · Journal of Scientific Research and Reports · 2021
The globe has recently been fighting a battle with black fungus, also known as Mucormycosis, and with no immediate treatments available, the disease's devastation is spreading at an alarming rate. A large number of researchers are still looking for a promising new drug that could aid the medical care system in this fight. A docking-based screening employing quantum mechanical scoring of a library is shown, built from approved drugs and compounds that Ellagic acid, Hesperetin, Capsaicin, Concanavalin, Cinnamic acid, Quercetin, Citronellal, Limonene, Progoitrin, Sinigrin, Allicin, Curcumin, Indole, Resveratrol, Strigol, D-limonene, Benzoic acid, Panaxydol, Kaempferol and Berberine with Protein with PDB id 6VCT could display antifungal activity against Mucormycosis. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against Mucormycosis.