An integrated approach towards the development of novel antifungal agents containing thiadiazole: Synthesis and a combined similarity search, homology modelling, molecular dynamics and molecular docking study

This study aims to synthesise and characterise novel compounds containing 2-amino-1,3,4-thiadiazole and their acyl derivatives and to investigate antifungal activities. Similarity search, molecular dynamics and molecular docking were also studied to find out a potential target and enlighten the inhibition mechanism.