title: Structure and function relationships of proteins based on polar profile: a review.
abstract: Proteins in the post-genome era impose diverse research challenges, the main are the understanding of their structure-function mechanism, and the growing need for new pharmaceutical drugs, particularly antibiotics that help clinicians treat the ever- increasing number of Multidrug-Resistant Organisms (MDROs). Although, there is a wide range of mathematical-computational algorithms to satisfy the demand, among them the Quantitative Structure-Activity Relationship algorithms that have shown better performance using a characteristic training data of the property searched; their performance has stagnated regardless of the number of metrics they evaluate and their complexity. This article reviews the characteristics of these metrics, and the need to reconsider the mathematical structure that expresses them, directing their design to a more comprehensive algebraic structure. It also shows how the main function of a protein can be determined by measuring the polarity of its linear sequence, with a high level of accuracy, and how such exhaustive metric stands as a "fingerprint" that can be applied to scan the protein regions to obtain new pharmaceutical drugs, and thus to establish how the singularities led to the specialization of the protein groups known today.
authors.affiliation: Department of Mathematics, Faculty of Sciences, Universidad Nacional Autónoma de México, C.P. 04510 D.F., México.
authors.forename: Carlos
authors.initials: C
authors.lastname: Polanco
authors.affiliation: Centro de Investigaciones Químicas, Universidad Autónoma del Estado de Morelos, C.P. 62209 Chamilpa, Cuernavaca, Morelos, México.
authors.forename: Thomas
authors.initials: T
authors.lastname: Buhse
authors.affiliation: Department of Molecular Medicine and USF Health Byrd Alzheimer's Research Institute, Morsani College of Medicine, University of South Florida, MDC07 Tampa, FL 33647, USA; Department of Biological Sciences, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia; Laboratory of Structural Dynamics, Stability and Folding of Proteins, Institute of Cytology, Russian Academy of Sciences, St. Petersburg, Russia.
authors.forename: Vladimir N
authors.initials: VN
authors.lastname: Uversky
mesh_terms: D000465:Algorithms; D000818:Animals; D019295:Computational Biology; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D008958:Models, Molecular; D000072416:Protein Structural Elements; D011506:Proteins / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D011506:Proteins