In the present scenario, the demand for accurate, faster and qualitative research increased, this led to the advent of bioinformatics. Bioinformatics as a tool where errors made can be corrected to open newer approaches in R&D fields. With the advent of Bioinformatics, we can develop and carry out research in various areas like drug designing, nanotechnology, biology, agro chemicals, environmental biotechnology, etc. The recent rise in organism specific genome projects coming up from scientist desks, bioinformatics becomes the foundation to start these projects. On a global perspective in order to receive faster results bioinformatics is a necessary tool to embark on a career in life sciences division is bioinformatics.
Molecular docking is an essential tool in computer aided drug design and bioinformatics. The aim of protein-ligand docking is to predict the potent binding mode of ligand in the binding pocket of three dimensional protein structures. Precisely, the role of molecular docking study is to predict the best protein-ligand complex using insilico methods. In computer aided drug design the word “molecular docking” refers to the study of how two or more molecular structures fit together. Study of the molecular recognition at atomic level is essential to a better understanding of molecular function and biological process.
Traditionally, drugs were discovered by synthesizing compounds in a time-consuming multi-step processes against a battery of in vivo biological screens and further investigating the promising candidates for their pharmacokinetic properties, metabolism and potential toxicity. Such a development process has resulted in high attrition rates with failures attributed to poor pharmacokinetics (39%), lack of efficacy (30%), animal toxicity (11%), adverse effects in humans (10%) and various commercial and miscellaneous factors.
Today, the process of drug discovery has been revolutionized with the advent of genomics, proteomics, bioinformatics and efficient technologies like, combinatorial chemistry, high throughput screening (HTS), virtual screening, de novo design, in vitro, in silico ADMET screening and structure-based drug design.