Abstract— Heterocyclic molecules are very important to medical chemistry because they are used to make drugs, especially chemotherapy. The goal of this study is to build on existing manufacturing methods for heterocyclic drugs so that they can be used more effectively in cancer medicine. We want to find new ways to make compounds and get around problems that come up with making complex heterocyclic structures. This will help us find chemicals that are very good at fighting cancer. Biocatalysis and flow chemistry are two current synthetic techniques that we use in our method to speed up the synthesis process, protect the environment, and increase yield and purity. As an environmentally friendly option to standard chemical methods, biocatalysis uses the precision and efficiency of enzymes to speed up processes in mild conditions. Flow chemistry, on the other hand, lets synthesis happen all the time, which makes it easier to direct reactions and make them bigger. For our study, we made a bunch of new heterocyclic chemicals and tested how well they killed different kinds of cancer cells. In early tests, a number of chemicals have shown promise in fighting cancer, showing that they could be used as treatment drugs. Structure-activity relationship (SAR) studies have been done to figure out what about the molecules makes them work, which will help make these chemicals even better. We also used computer chemistry tools to guess how these heterocyclic molecules would react with proteins that play a role in the growth of cancer. These predictions are confirmed by tests done in vitro and in vivo, which give us a full picture of how the drug works and its possible uses in therapy.