Computer abetted drug design for handling Tuberculosis

2018-05-19T05:04:12Z (GMT) by A Shrivastava HK Garg

RDD (Rational Drug Designing) is a computer assisted approach to hit upon molecules with desired chemical and geometric properties that fit to a receptor cavity of specific target protein. The structure based drug design or target based drug design, absolutely based on three-dimensional (3-D) structure of the target proteins of interest, allows us to devise molecules capable to bind the receptor in order to maximize the drug affinity and specificity towards the target. RDD, in toto, follows new algorithms for computer aided molecular modelling (CAMD).

Some potential drugs that have been discovered using structure-based drug design techniques are at present under preclinical or clinical investigation for the treatment of certain diseases like cancer, AIDS, rheumatoid arthritis, psoriasis, and glaucoma. However, in case of tuberculosis (TB), no significant endeavour has been made so far. Through the present study, an attempt has been made to employ RDD in handling tuberculosis. It is hoped that the present approach would be viable for the not only effective treatment of multidrug resistant tuberculosis (MDR-TB), but also for extensively drug resistant tuberculosis (XDR-TB), HIV and persistent TB in the days to come.