Informatics: Tools and Databases in Drug Discovery

Abstract

Modern drug discovery and development research are built on information or data that have been acquired over many years and are linked to studies on therapeutic candidates. These details include information about pharmacological, general, biochemical, chemical, and physiological qualities. Today, the process of finding new drugs depends on being able to access and use vast amounts of data. These days, information is kept in databases, which are organized repositories for text, numbers, graphics, and structural information. Databases make it simple to manage current information while providing quick access to pertinent data. Information on biology, chemistry, and literature are combined via computer-based data storage and retrieval. This scientific advancement facilitates the design of molecules for therapeutic action. Unified tools speed up and reinforce the medication development and research procedures. For the drug development process, there are several computer programs or tools with a wide range of applications, accuracy, and methodologies available on a global scale. For molecular modeling, docking, and protein conformation, ADMET predictions, pharmacophore mapping, visualization of docking postures, computation of force fields, homology modeling, generation of three-dimensional structures, and pharmacophore searches, these computational tools or programs are used in the design and discovery of new medications. In the present drug discovery system, computational tools are essential for lead optimization, lead identification, and pre-clinical in vitro assessment criteria for moving into clinical development. Informatics tools and databases are gradually becoming the pillar of foundation in contemporary drug discovery research since non-expert users may readily explore them and create sophisticated queries. The use of these informatics tools and databases has significantly shortened the time it takes for novel therapies to reach the market, which has had a significant impact on society, particularly at times of national and international disasters like the Zika and Wuhan virus outbreak. Informatics tools and databases will expand enormously in the coming years as a result of exposure to current technology, and they will play a crucial role in the public health sector’s search for innovative treatments.