Recent Trends on QSAR in the Pharmaeutical Perceptions

  • ID: 2317318
  • January 2012
  • Bentham Science Publishers Ltd
1 of 4

Quantitative Structure-Activity Relationship (QSAR) is a field where true multidisciplinary approaches are being used. This volume titled Recent Trends on QSAR in the Pharmaceutical Perceptions offers an overview on the latest advancements in the field. The e-book explains both basic approaches and new approaches and ideas in QSAR research, providing readers with an impression of recent inclinations and advances in different aspects of the QSAR strategies, such as descriptors, methods of modeling and validation.
This e-book is a valuable reference for pharmacologists, medicinal chemists, drug designers, biotechnologists and industry (pharmaceutical and chemical) professionals. It should serve as an important reference material to stimulate interactions and bridge the gap between participants in academia and industries.

Note: Product cover images may vary from those shown
2 of 4

Foreword by Alexandru T. Balaban i
Foreword by Roberto Todeschini iv
Preface vii
List of Contributors x
1. QSAR, Complex Networks, Principal Components and Partial
Order Analysis of Drug Cardiotoxicity with Proteome Mass-
Spectra Topological Indices 3
Cristian R. Munteanu, Maykel Cruz-Monteagudo, Fernanda Borges, M.
Natália D. S. Cordeiro, Ricardo Concu and Humberto González-Díaz
2. Calcium Channel Blockers: Past and Future 51
Corina Duda-Seiman, Speranta Avram, Daniel Duda-Seiman,
Bogdan Bumbacila, Florin Borcan and Rodica Cinca
3. Evaluation of the Pharmacological Descriptors Related To the
Induction of Antimicrobial Activity by Using QSAR and
Computational Mutagenesis 63
Speranta Avram, Catalin Buiu, Corina Duda-Seiman, Florin
Borcan, Daniel Duda-Seiman and Dan Mihailescu
4. Computer-Based Strategies Towards the Discovery of New
Antiepileptic Agents 99
Luciana Gavernet, Alan Talevi and Luis E. Bruno-Blanch
5. Bridging Chemical and Biological Space: QSAR Probing Using
3D Molecular Descriptors 119
M. Natália D. S. Cordeiro, Fernanda Borges, and Aliuska Morales
6. Overview of QSAR Modelling in Rational Drug Design 194
Feng Luan and M. Natália D. S. Cordeiro
7. QSAR for the Cytotoxicity of tert-Butylphenols and 2-
Methoxyphenols in Terms of Inhibition Rate Constant and a
Theoretical Parameter 242
Seiichiro Fujisawa and Yoshinori Kadoma
8. Artificial Neural Network Model Based QSAR for Oxygen
Containing Heterocycles as Selective Cox-2 Inhibitors 255
P.M. Sivakumar and Mukesh Doble
9. Recent Studies on Similarity Measures and its Applications to
Chemoinformatics and Drug Design 272
Alan Talevi, Eduardo A. Castro and Luis E. Bruno-Blanch
10. QSAR-Based CMs and TOMOCOMD-CARD Approach for the
Discovery of New Tyrosinase Inhibitors Chemistry 298
Gerardo M. Casañola-Martin,Huong Le-Thi-Thu,Yovani Marrero-
Ponce, Francisco Torrens, Antonio Rescigno, Concepción Abad and
Mahmud Tareq Hassan Khan
11. QSAR and Bioinformatics for Rational Peptide Design: An
Overview of the Development of New Anti-Infective Drugs and
MHC Binding Peptides 342
Olivier Taboureau, Morten Nielsen, Claus Lundegaard and Ole
12. Quantitative Structure Activity Relationship: History,
Development and Applications 360
Medhat Ibrahim, Noha A. Saleh and Wael M. Elshemey

Note: Product cover images may vary from those shown
3 of 4

Editor: Mahmud Tareq Hassan Khan

Note: Product cover images may vary from those shown
4 of 4
Note: Product cover images may vary from those shown





Our Clients

  • Pfizer Inc.
  • Grünenthal GmbH
  • GlaxoSmithKline PLC
  • Abbott Laboratories Ltd.
  • Roche Diagnostics Ltd.
  • Novo Nordisk A/S