Matrix metalloproteinases and their considerations in Dentistry from the field of computational chemistry

Abstract

Matrix metalloproteinases are a family of zinc-dependent proteases responsible for the remodeling the protein components of extracellular matrix of all tissues; its catalytic activity is controlled by tissue inhibitors of matrix metalloproteinases. At pathological conditions the balance between MMPs regarding these endogenous inhibitors is lost, this imbalance is evident in oral diseases including dental caries, gingivitis, periodontitis, among others, hence the possibility of achieving selective inhibition of activity of these enzymes with synthetic inhibitors is a promising approach in the treatment of various diseases of the oral cavity. A literature review aimed at analyzing the role of matrix metalloproteinases in the development of oral diseases and identify the contribution made by the computational analysis of these enzymes in the field of dentistry is presented below. To this end a search of the literature available was conducted in databases such as Pubmed, Sience Direct, Ovid, and Ebsco Host using keywords like: oral pathology, oral cancer, dentin bonding, matrix metalloproteinases, synthetic inhibitor of metalloproteinases, and molecular modeling. 35 items were selected to guide this review. At the end it was concluded that there is positive correlation between deregulation of certain MMPs and progression of certain oral diseases, this has boosted in silico identifying and designing effective inhibitors for these proteins, based on structure-activity relationship analysis and molecular docking computational. To date it has successfully demonstrated that the most potent inhibitors of MMPs have hydroxamate groups. So far it has successfully demonstrated that the most potent inhibitors of MMPs have hydroxamate groups. Considering the above, the design of compounds that block the chemopreventive activity represents a rational strategy for the inhibition of MMPs.