🔖 Identification and development of small molecule inhibitors against Herpes Simplex Virus-1(HSV-1) thymidine kinase could help in the treatment of cancer. So, through this work some novel compounds have been proposed which can be further tested to encounter this never lasting issue. Herein, we have exploited the crystal structure of HSV-1 thymidine kinase and its binding interactions with Ganciclovir. We used several freely available software's like Autodock, Dock blaster, CUPSAT, Chimera and Avogadro for drug designing. This book, designed to provide the enough information to understand the principles of drug designing by utilizing basic tools of bioinformatics.