In silico molecular docking for assessing anti-fungal competency of hydroxychavicol, a phenolic compound of betel leaf (Piper betle L.) against COVID-19 associated maiming mycotic infections

In silico network pharmacology study on Glycyrrhiza glabra: Analyzing the immune-boosting phytochemical properties of Siddha medicinal plant against COVID-19

“…Covid Associated Mucormycosis (CAM) management strategies with the phytocompounds such as turmeric and neem are proposed in this network pharmacological study. The outcome revealed Quercetin, an active phytocompound, effectively works against Mucormycosis ( Datta et al, 2023 , Malabadi et al, 2021 , Sekar et al, 2022 ). In a pharmacoinformatics study, the bioactive components of Glycyrrhiza glabra are examined for consideration as a potential inhibitor of SARS-CoV-2 glycoprotein.…”

The synergistic effects of hydroxychavicol and amphotericin B towards yeast-hyphae transition and the germination of Candida albicans

“… 24 In the recent pandemic, HC was investigated in silico with regards to its ability to control the growth of oral fungal infections. 25 HC has also proven to be a promising agent against C. albicans . 26 None of the previously conducted studies investigated the role of HC in the inhibition of germination in species of Candida .…”

Anti-fungal potential of phytochemicals present in Mangifera indica: An in-silico approach

“…The crystallographic structures of Nucleoside Diphosphate Kinase (NDK) from Aspergillus Flavus (PDB ID: 6k3h) and Sterol 14-alpha demethylase (CYP51B) from a pathogenic lamentous fungus Aspergillus fumigatus (PDB: 5frb) were made available by the Protein Data Bank. After the water molecules were eliminated, the protein was provided with hydrogen atoms using the BIOVIA Discovery Studio 2021 Client programme to correct the ionisation of the amino acid residues in order to get it ready for molecular docking (Sekar et al, 2022).…”