Developing Novel Anticancer Drug Candidates Regarding the Integration of Three Main Knowledge Fields: ComputerAided Drug Design, Chemical Synthesis, and Pharmacological Evaluation - Abstract
New small drug like compounds are developed based on the selection of more specific targets considering the interrelationship of three knowledge fields: rational drug design/computer-aided drug design (CADD), chemical synthesis and biological evaluation. It is well-known that the use of CADD strategies in the early stage of drug development can avoid the synthesis of thousands of compounds, driving the efforts to more promising compounds (having suitable pharmacodynamics and pharmacokinetic features as well as low toxicity), reducing the number of biological assays to be performed and, consequently, decreasing the use of animal experimentation. Also, the time and costs involved in the entire radical innovation process can also be reduced, and the chances of success may significantly increase to reach the final product. Herein, we have pointed out some aspects related to the early development phase of anticancer drug candidates concerning the integration of those three main knowledge fields.