Current Developments of Hydantoin-Based Antimicrobial Agents and in Silico Studies on Staphylococcus Aureus Serine Protease SplA (4mvn)

Lim, Bryan Chi Wah (2021) Current Developments of Hydantoin-Based Antimicrobial Agents and in Silico Studies on Staphylococcus Aureus Serine Protease SplA (4mvn). Final Year Project (Bachelor), Tunku Abdul Rahman University College.

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Abstract

Hydantoin, imidazole-2,4-dione, is a small five membered non aromatic heterocyclic ring used in pharmacology and medicinal chemistry in drug design. It has five binding sites where four of them are either hydrogen bond donors or hydrogen bond acceptors. Hydantoins derivatives show an extensive of activity in antimicrobial, anticancer, anti-inflammatory and many more. In this thesis shows the contribution of the hydantoin had brought to the pharmacological world, also the current development of the hydantoin derivatives from many authors around the world. The synthesis and characterization of the hydantoin derivatives were showcased in this thesis as well as their activities against various virus, fungi and gram-positive and gram-negative bacteria. Covering in this thesis was also the 25 newly designed ligands which the hydantoin acts as the center scaffold. ADMET analysis were ran using a few websites. In silico studies were done with molecular docking of the ligands onto the binding pockets of the protein 4MVN using computational software. The results were discussed in terms of docking energy, chemical bonding and the inhibition constant. Ligand 1e)v) was the most active compound in the final decision with great ADMET analysis, lowest docking energy and lowest inhibition constant.