Software based approaches for drug designing and development: A systematic review on commonly used software and its applications

Drug discovery include drug designing and development, is a multifarious and expensive endeavor, where least number of drugs that pass the clinical trials makes it to market. Software based drug discovery and development methods have major role in the development of bioactive compounds for over last three decades. Novel 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 investigation of pharmacokinetic and pharmacodynamic properties of drug, and structural activity relationship between ligand and its target. Computational approaches such as docking confer interaction of small molecules with structural macromolecules and thereby hit identification and lead optimization. These methods are faster, and accurately provide valuable insights of experimental findings and mechanisms of action. In addition, appropriate implementation of these techniques could lead to a reduction in cost of drug designing and development. Currently in biomedicine sciences these software are exhibiting imperative role in the different phases of drug discovery. The review discusses working principle and successful applications of most commonly used software for drug designing and development. Keywords: Drug discovery, Docking, Structural activity relationship, Molecular modeling, Computational method

DESIGN OF FAST DISSOLVING TABLET OF ATENOLOL USING NOVEL CO-PROCESSED SUPERDISINTEGRANT

Atenolol is a recognized drug for hypertension therefore development of an FDT of Atenolol and to evaluate the effect of co-processed superdisintegrants on its disintegration time and release profile was the prime objective of this research work. Tablets were prepared by direct compression technique using two different superdisintegrants in combination by co-process mixing and by physical mixing. Croscarmellose sodium and Crospovidone were used as superdisintegrants in combinations in the different ratio (1:1, 1:2 & 1:3). The developed superdisintegrants were evaluated for angle of repose, Carr's index and Hausner's ratio in comparison with physical mixture of superdisintegrants. The angle of repose of the developed excipients was found to be < 250, Carr's index in the range of 10-15% and Hausner's ratio in the range of 1.11-1.14. Fast dissolving tablets of Atenolol were prepared using the co-processed superdisintegrants and evaluated for pre-compression and post compression parameters. Based on in-vitro dispersion time (approximately 20sec) CP1 formulation was tested for in-vitro drug release pattern in pH 6.8 Phosphate buffer and drug excipients interaction were studied with DSC. Among the designed formulations, the formulation (CP1) containing 4% w/w of co-processed superdisintegrants (1:1 mixture of Crospovidone and Croscarmellose sodium) emerged as the overall best formulation based on drug release characteristics in pH 6.8 phosphate buffer. Keywords: Atenolol, Crospovidone, Croscarmellose sodium, Co-processed Superdisintegrants, Fast dissolving table