QSAR modelling: a therapeutic patent review 2010-present

Expert Opin Ther Pat. 2018 Jun;28(6):467-476. doi: 10.1080/13543776.2018.1475560. Epub 2018 May 23.

Abstract

Introduction: Quantitative Structure-Activity Relationship (QSAR) models are becoming one of the most interesting fields for developing therapeutics and therapeutics related patents. At present, QSAR methodologies comprise a series of possibilities, including joining forces with machine learning methods and increasing even more the swiftness they might bring to the prospective development of therapeutics in the Health Sciences scope.

Areas covered: After evaluating the period from 2010 to early 2018, the areas covered by the reviewed QSAR based therapeutics patents comprise three main fields (drug development, risk assessment and novel QSAR methodologies), and several areas, from cancer and cancer related symptomatology to neurodegenerative diseases, such as Parkinson's disease, or even monitoring several chemical particles carrier-mediums or interface frontiers.

Expert opinion: Among the several conclusions drawn from this reviewing, some pertain to the near future of investigative research on QSAR based inventions for therapeutic purposes, while others include the prospective of an even more grown interest on cytotoxicity assessment with in silico models and protocols. Further, the type of compounds described in these types of patents is likely to see an increase in neurodegenerative diseases therapeutics, as the novel methodologies meet the challenging global health needs as human life expectancy increases.

Keywords: QSAR; cytotoxicity; ecotoxicity; neurodegenerative diseases; patents; therapeutics.

Publication types

  • Review

MeSH terms

  • Animals
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Computer Simulation
  • Drug Design*
  • Humans
  • Models, Molecular*
  • Neoplasms / drug therapy
  • Neoplasms / pathology
  • Neurodegenerative Diseases / drug therapy
  • Neurodegenerative Diseases / physiopathology
  • Patents as Topic
  • Quantitative Structure-Activity Relationship*

Substances

  • Antineoplastic Agents