[Design of new antineoplastic drugs].

Abstract

The theoretical design of new anticancerous drugs is considered into the general frame of the theoretical pharmacology. In this aim, two limit cases are taken into account: those of drugs with well known and unknown mechanism of action. The methods used presently in drug design are reviewed, emphasis is put on the molecular mechanics procedures. Two examples of calculations are given: the first deals with some alkylating agents the mechanism of action of which is well known. The second one deals with immunologic agents, such as human interleukin-2, the study of which is carried out by theoretical and experimental fragment analysis of the polypeptide. It is concluded that the theory may be an useful tool for solving the cancer problem.