Special Issue "Advances in Drug Design"
A special issue of Pharmaceuticals (ISSN 1424-8247).
Deadline for manuscript submissions: closed (31 July 2012)
Dr. Arthur Gomtsyan
Abbott Laboratories, 100 Abbott Park Road, Department R4PM, Bldg. AP10, Abbott Park, IL 60064, USA
Phone: +1 847 935 4214
Fax: +1 847 937 9195
Interests: medicinal chemistry; synthetic organic chemistry; drug design in the area of pain research targeting ion channels and enzymes
Productivity of the pharmaceutical industry measured in terms of a number of approved drugs has been in decline over the last several decades. New creative approaches in drug design have been put in place to reverse that trend. Structure-based drug design that relies on high resolution 3D structures of drug targets is being complimented with fragment-based drug design approach which utilizes NMR spectroscopy to shorten the time of lead generation. On the other hand, closer attention is drawn to a drug-likeness of molecules – molecular weight, solubility, lipophilicity, etc. Lipinski's rule of five or its modifications are gaining prominence in medicinal chemistry decision making. Cheminformatic tools are becoming part of arsenal for medicinal chemists. Drug design takes into account not only pharmacological properties, but also potential toxicological effects of the molecules. Potential for reactive metabolite formation and protein covalent binding now can be assessed with various successes in vitro to predict idiosyncratic toxicity in clinic. New procedures including in silico models can be implemented to predict pharmacokinetic properties of the compounds.
Prevailing dogma in drug discovery that values selective compounds the most is getting challenged with a concept of polypharmacology, which suggests that multitargeted drugs, compared with selective drugs, may display better efficacy in clinic. As far as the mechanism of drug action goes, concept of allosteric modulation is more widely employed in a number of therapeutic areas.
Dr. Arthur Gomtsyan
- structure-based drug design
- fragment-based drug design
- drug-likeness, rule of five
- predictive methodologies for ADME and drug toxicity
- allosteric modulators
Article: Prediction of Positions of Active Compounds Makes It Possible To Increase Activity in Fragment-Based Drug Development
Pharmaceuticals 2011, 4(5), 758-769; doi:10.3390/ph4050758
Received: 28 March 2011; in revised form: 17 May 2011 / Accepted: 20 May 2011 / Published: 20 May 2011| Download PDF Full-text (238 KB) | Download XML Full-text | Supplementary Files
Pharmaceuticals 2011, 4(9), 1196-1215; doi:10.3390/ph4091196
Received: 5 August 2011; in revised form: 23 August 2011 / Accepted: 29 August 2011 / Published: 1 September 2011| Download PDF Full-text (2144 KB) | Download XML Full-text
Article: Target Profile Prediction and Practical Evaluation of a Biginelli-Type Dihydropyrimidine Compound Library
Pharmaceuticals 2011, 4(9), 1236-1247; doi:10.3390/ph4091236
Received: 26 August 2011; in revised form: 13 September 2011 / Accepted: 16 September 2011 / Published: 20 September 2011| Download PDF Full-text (549 KB) | Download XML Full-text
Pharmaceuticals 2011, 4(10), 1328-1354; doi:10.3390/ph4101328
Received: 21 September 2011; in revised form: 27 September 2011 / Accepted: 30 September 2011 / Published: 13 October 2011| Download PDF Full-text (1239 KB) | Download XML Full-text
Pharmaceuticals 2011, 4(11), 1450-1474; doi:10.3390/ph4111450
Received: 8 August 2011; in revised form: 20 October 2011 / Accepted: 20 October 2011 / Published: 27 October 2011| Download PDF Full-text (787 KB) | Download XML Full-text
Review: Advances in Drug Design Based on the Amino Acid Approach: Taurine Analogues for the Treatment of CNS Diseases
Pharmaceuticals 2012, 5(10), 1128-1146; doi:10.3390/ph5101128
Received: 31 July 2012; in revised form: 24 September 2012 / Accepted: 15 October 2012 / Published: 23 October 2012| Download PDF Full-text (337 KB) | Download XML Full-text
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Last update: 4 March 2014