Computer Aided Drug Designing-CADD

Fast expansion in this area has been made possible by advances in software and hardware computational power and sophistication, identification of molecular targets, and an increasing database of publicly available target protein structures. CADD is being utilized to identify hits (active drug candidates), select leads (most likely candidates for further evaluation), and optimize leads i.e. transform biologically active compounds into suitable drugs by improving their physicochemical, pharmaceutical, ADMET /pk (pharmacokinetic) properties. Success of computer aided drug designing depends on the accuracy of modeled structure, accuracy of tools used for predicting binding site, performance of docking algorithms, correctness in mapping the pharmacophore, accuracy of energy minimization and simulation algorithms, reliability of adme and toxicity prediction tools as well as on synthetic feasibility of designed inhibitor or drug. QSAR and ADMET models, previous efforts made in drug discovery, success/failure, clinical trial data, efficacy and side-effects. Drug designing is an art, but the application of computer will play a major role in the attempts to make it more rational and successful in the future. Extensive use of computational approaches with higher accuracy could reduce the overall cost and failure of drug designing.We will address a number of pertinent topics including:

  • The application of computational methods to the design of biologics
  • Data analysis and visualization techniques to support multi-objective optimization
  • The application of computational methods to drug discovery programs driven on data from phenotypic assays
  • The impact of open source software and open data on drug design
  • The impact of "big data" on drug discovery
  • Computational methods applied to the optimization of binding kinetics

  • Ligand and structure based drug design
  • Computational Chemistry
  • Molecular modelling
  • Enzyme as target
  • Receptor as target
  • QSAR/QSPR Quantitative structure activity/property relationships

Related Conference of Computer Aided Drug Designing-CADD

(10 Plenary Forums-1Event)
November 02-03, 2017

18th World Conference and Exhibition on Analytical & Bioanalytical Chromatographic Techniques

Atlanta, Georgia, USA
November 15-16, 2017

2nd International Conference on Nuclear Chemistry


(10 Plenary Forums - 1Event)
Las Vegas, Nevada, USA
March 01 - 03, 2018

4th European Organic Chemistry Congress

London,UK
May 17-19, 2018

11th Global Experts Meeting on Chemistry

Singapore
July 23-24, 2018 Lisbon, Portugal

9th Global Chemistry Congress

8th European Chemistry Congress

June 21-23, 2018 Paris, France
July 23-24, 2018

11th Annual Congress on Chemistry

Melbourne, Australia
October 29-30, 2018

3rd International Conference on Pharmaceutical Chemistry

Brussels, Belgium
October 22-23 , 2018

24th World Chemistry & System Biology Conference

Toronto,Ontario, Canada
November 05-06, 2018

International Conference on Catalysis and Pyrolysis 2018 (ICCP-2018)


(10 Plenary Forums - 1Event)
San Francisco, USA
Dec 03-04, 2018

Chemistry & Drug Discovery 2018

Mexico City, Mexico

Computer Aided Drug Designing-CADD Conference Speakers

Recommended Sessions

Related Journals

Are you interested in