Cheminformatics: An Emerging Field

Cheminformatics is an emerging field that uses information technology to a range of problems in the field of chemistry as well as drug discovery. Cheminformatics is a fast growing field and there is a lack of qualified scientific professionals who can use computers and databases for chemical compounds or drug development. Basically it is the application of information technology to chemistry. The efficient search of such stored information includes topics that are dealt with in computer science as data mining, information retrieval, information extraction and machine learning. The applications are the Chemical data collection, analysis and management, chemical data representation, database design, chemical structure prediction, compound library, database mining, QSAR/ QSPR, Statistical models and descriptors. The various aspects are the Information Acquisition i.e. methods for collecting data from the source or from various theories, Information Management i.e. storage and retrieval and Information use i.e. analysis, correlation and application to problem. The methods that included are force fields, molecular dynamics, QSAR, molecular docking and pharmacophore. The software that used are Amber (use for protein and DNA), OPLS (Optimized Potentials for Liquid Simulations), Charmm (C-22 for protein and C-27 for DNA, RNA, and Protein). These in silico techniques are used in pharmaceutical companies in the process of drug discovery. These methods can realize its immense potential, the chemical and pharmaceutical industries are now going in for qualified and trained staff in cheminformatics. New career avenues have also opened up for IT as well as computer-proficient science graduates for acquiring, managing, or utilizing chemical information with the help of computer software. The aim of Cheminformatics is to provide comprehensive understanding of this fast growing field in science and technology starting from basic principles to the point of application in various fields of chemistry, biotechnology, drug development and drug designing.

Author: Bashah Javed

Faculty Bioinformatics,

BII.

Biotechnology in Pharmacology|9810535368

Finding a chance to write on the blog of BII is a subject of honor for me. I am just trying to make reader familiar with the world of Biotechnology/life sciences and there relation with Pharmacology, Here I am trying to set some epic of DNA which is most fascinating thing in health care system as per my view. After the discovery of nuclein (nucleic acid) by Johannes Friedrich Miescher in 1869 which is one of most remarkable work in the world of Life Sciences. It initiate a new era in Life sciences especially in molecular biology. In the initial of 20^th century when protein is regarded as the most complex structure as well as genetic material, DNA comes as a medicine. Structure of DNA reveals how the characters are transferred from parents to offspring and transcript the information from genotype to phenotype via RNA and Protein. Writing anything is looks less as per broad view of DNA but 5’ to 3’ end always attract me so I will try my level best to sum-up maximum stuff about DNA and its relation with pharmaceutical industry in my this and upcoming next blogs.

Structure of DNA is very important because it is the key role for remedy of viral, bacterial and mutational problems. As its chemical structure elaborate with addition of pentose sugar purine, pyrimidine and tri phosphate molecule. Where sugar molecule deoxygenate at 2’ no of carbon while Nitrogenous bases are at 1’, when we talk about phosphate structure its added at 5’.That whole compound is regarded as nucleotide, and every new nucleotide join at 3’ end and constitute a new DNA.

Source: Mr. Gourav Kumar

Faculty:Bioinformatics Institute of India