Abstract
Pyrazole and pyrazole derivatives have always constituted a privileged family of five-membered nitrogen-containing heterocycles, and the versatility of their structure, together with the wide spectrum of their biological activities, have made them of considerable interest in medicinal chemistry for many years. During the last twenty years, the pyrazole structure has been demonstrated through extensive studies to respond to rational modifications in order to afford potent agents for the treatment of inflammatory diseases, antimicrobial agents, anticancer agents, antivirals, antioxidants, antidiabetics, neuroprotectants, gastroprotectants, and drugs for the treatment of cardiovascular diseases, respectively. Some clinically used drugs, such as celecoxib, lonazolac, and deracoxib, aptly prove the translational value of pyrazole derivatives as an important heterocyclic system. Recent advances in the synthetic approaches, structure-activity research, and combination of the above with the power of the aid of the currently available tools of molecular docking simulation, molecular dynamic simulation, and in silico ADMET studies have further accelerated the process of the discovery of pyrazole-based leads for the treatment of the abovementioned diseases. This manuscript endeavours to present an in-depth discussion of the biologic activity of pyrazole derivatives, with special emphasis on biologic mechanism, structure-activity correlation, and the increasing use of the power of the aid of the above tools in the process of the discovery of the anticancer drugs.