Software based approaches for Drug Modeling: A systematic review on commonly used software and its applications

The growth of the drug modeling software market is mainly attributed to the factors such as increasing adoption of in-silico modeling tools in drug discovery, and rising economic burden of drug discovery. However, the market is likely to get negatively impacted by the less adoption of drug modeling in emerging countries, during the forecast period.

Drug modeling has become an essential tool in the drug design process. Software based drug discovery and development methods are playing key a role in the development of novel drugs. Software based methods such as molecular modeling, structure-based drug design, structure-based virtual screening, ligand interaction and molecular dynamics are considered to be powerful tool for the investigation of pharmacokinetic and pharmacodynamic properties of drugs. These methods are fast, accurate, and provide valuable insights of experimental findings and mechanisms of action. Additionally, appropriate implementation of these techniques may help in reducing drug designing and development cost.

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Crown Bioscience Inc., Chemical Computing Group Ulc, Nimbus Therapeutics, Schrödinger, Inc., Dassault Systèmes, Genedata Ag, Biognos Ab, Compugen Ltd, Acellera ltd., Leadscope, Inc

As per the Pharmaceutical Research and Manufacturers of America, the average cost to research and develop a successful drug is estimated to be US$ 2.6 billion. Moreover, only a small proportion of leads that are selected for further investigation during the initial stages of research are translated into clinical research studies. Over a period, the complexities of drug discovery have increased owing to the increasing size of biologics. As a result, there has been a direct rise in R&D expenditure in the pharmaceutical sector. As per the Pharmaceutical Research and Manufacturers of America, in 2017, biopharmaceutical companies sponsored more than 4,500 clinical trials in the US. These trials accounted for approximately US$ 43 billion; moreover, in 2017, biopharmaceutical companies in the US invested around US$ 97 billion in R&D.