Published Paper Details:

Herpes simplex (more commonly known as herpes) is classified into two types: Herpes simplex Virus Type 1(HSV-1) and Herpes simplex Virus Type 2(HSV-2). HSV-1 usually causes mouth and lip sores (also called cold blisters). HSV-1 may cause genital herpes, but HSV-2 in the vaginal herpes is most common. Hence, discovering an effective compound to combat herpes infections is essential. The aim was to predict possible interactions between Thymidine Kinase (TK) as one of the most important viral elements in intracellular HSV-1 replication and 5 potential phytochemicals from Cinnamomum zeylanicum by using a computational approach. 3-Dimensional Structure of Thymidine Kinase (TK) has been retrieved from the Protein Data Bank, prepared and docked with Rutin, Quercetin , Kaempferol , Isorhamentin and Catechin as ligands with Autodock vina. The highest ligand binding affinity to the targeted protein based on minimal binding energy was calculated. More research was carried out in order to identify the protein active site interacted with the ligands examined and all intermolecular bonds that exist. By showing best related affinity (?9,2 kcal / mol) compared to the other ligands, Rutin was described as the most possible inhibitor of viral activity. Rutin can be considered a promising compound for further evaluation as a potentially efficient antiviral compound against HSV-1.