Drug Targeting and Design

The most fundamental goal in drug design is to predict whether a given molecule will bind to a target and if so how strongly. Molecular mechanics or molecular dynamics are most often used to predict the conformation of the small molecule and to model conformational changes in the biological target that may occur when the small molecule binds to it. The therapeutic response of a drug depends upon the interaction of drug molecules with cell on cell membrane related biological events at receptor sites in concentration dependent manner.

Selective and effective localization of the pharmacologically-active moiety at preidentified target(s) in therapeutic concentration, while restricting its access to non-target(s) normal cellular linings, thus minimizing toxic effects and maximizing the therapeutic index accounts from effective and efficient drug delivery.

Molecular mechanics methods may also be used to provide semi-quantitative prediction of the binding affinity. Also, knowledge-based scoring function may be used to provide binding affinity estimates. These methods use linear regression, machine learning, neural nets or other statistical techniques to derive predictive binding affinity equations by fitting experimental affinities to computationally derived interaction energies between the small molecule and the target.

Ideally, the computational method will be able to predict affinity before a compound is synthesized and hence in theory only one compound needs to be synthesized, saving enormous time and cost. The reality is that present computational methods are imperfect and provide, at best, only qualitatively accurate estimates of affinity. In practice it still takes several iterations of design, synthesis, and testing before an optimal drug is discovered. Computational methods have accelerated discovery by reducing the number of iterations required and have often provided novel structures.

 

  • Factors influencing Drug Targeting
  • Advances in Drug Targeting components
  • Recent Approaches to Drug Targeting
  • Rational Drug Design
  • Computer Aided Drug Design
  • Drug Design Theory
  • Role of Computers in Drug Design: Their Success and Failure
  • Rational Drug Design Software
  • RACHEL Software Package

Related Conference of Drug Targeting and Design

June 24-25, 2020

6th World Congress on Medicinal Plants and Marine Drugs

Amsterdam, Netherlands
June 24-25, 2020

25th International Congress on Pharmaceutical Biotechnology

Amsterdam, Netherlands
June 29-30, 2020

12th World Congress on Neuropharmacology

Athens, Greece
July 15-15, 2020

pharmaceutics and drug discovery

London, UK
July 22-23, 2020

23rd Asia Pacific Pharma Congress

Melbourne, Australia
July 29-31, 2020

Global Pharma Summit and Expo

Shanghai, China
August 26-27, 2020

33rd World Congress on Pharmacology

Barcelona, Spain
August 31-01, 2020

13th European Biosimilars Congress 2020

London, UK
September 07-08, 2020

Global Summit on Generic Drugs and Quality Control

Prague, Czech Republic
September 09-10, 2020

World Pharma Expo

Amsterdam, Netherlands
September 10-11, 2020

World Congress on Rare Diseases & Orphan Drugs

Prague, Czech Republic
September 14-15, 2020

16th Annual Congress on Pharmacology and Toxicology

Vienna, Austria
September 16-17, 2020

Global Pharmacovigilance And Clinical Trials Summit

Shanghai, China
September 18-19, 2020

International Conference on Pharmaceutical Chemistry

Dubai, UAE
September 21-22, 2020

35th World Pharmacology and Toxicology Forum

Tokyo, Japan
September 22-23, 2020

6th Annual Congress on Clinical & Hospital Pharmacy

Singapore City, Singapore
September 24-25, 2020

20th World Congress on Advances in Pharmaceutical Sciences

Singapore, Singapore
October 05-06, 2020

International Congress on Drug Delivery

Auckland, Newzealand
October 15-16, 2020

nanomedicine-pharma-2020

Rome, Italy
October 21-22, 2020

20th Annual Meet on Pharmaceutical Sciences

Bangkok, Thailand
October 21-22, 2020

27th World Congress on Pharmacovigilance and Clinical Trials

Frankfurt, Germany
October 26-27, 2020

22nd International Conference on Drug Design and Development

Amsterdam, Netherlands
November 09-10, 2020

2nd World Congress on Drug Discovery and Drug Design

Tokyo, Japan
November 09-10, 2020

21st Global Summit on Analytical and Bioanlaytical Techniques

Amsterdam, Netherlands
November 9-10, 2020

Annual Meet on Pharmacovigilance & Drug Safety

Tokyo, Japan
November 09-10, 2020

20th Medicinal & Pharmaceutical Sciences Congress

Budapest, Hungary
November 09-10 , 2020

Asia Pacific Pharmaceutics & Drug Delivery Congress

| Tokyo , Japan
November 11-12, 2020

4th World Congress on Eye and Vision

Dubai, UAE
November 16-17, 2020

World Congress on Biologics and Biosimilars

Kyoto, Japan
November 19-20, 2020

Global summit on Cosmetic and Reconstructive Surgery

Tokyo, Japan
November 23-24, 2020

Pharma Expo China

Paris, France
November 23-24, 2020

Pharmaceutics & Novel Drug Delivery Summit China

Paris, France
November 23-24, 2020

21st Middle East PharmaTech & Expo

Istanbul, Turkey
November 25-26, 2020

8th World Congress on Antibiotics, Antimicrobials & Antibiotic Resistance

Singapore City, Singapore
November 26-27, 2020

11th World Congress on Bioavailability and Bioequivalence

Istanbul, Turkey
December 02-03, 2020

2nd International Conference on Bio-Pharmaceuticals

Auckland, Newzealand
December 07-08, 2020

International Liver Congress

Dubai, UAE
December 07-08, 2020

International Conference on Biotechnology and Healthcare

Auckland, Newzealand
May 11-12, 2021

6th Pharmaceutical Chemistry Conference

Paris, France
May 18-19, 2021

8th European Biopharma Congress

Prague, Czech Republic

Drug Targeting and Design Conference Speakers

Recommended Sessions

Related Journals

Are you interested in