In Silico Models for Drug Discovery

Specificaties
Gebonden, 265 blz. | Engels
Humana Press | 2013e druk, 2013
ISBN13: 9781627033411
Rubricering
Humana Press 2013e druk, 2013 9781627033411
Onderdeel van serie Methods in Molecular Biology
Verwachte levertijd ongeveer 9 werkdagen

Samenvatting

Infectious diseases caused by viruses, parasites, bacteria, and fungi are the number one cause of death worldwide. Although new technologies have improved diagnosis of infectious diseases, the efficacy of all known current anti-infective agents is threatened by the spread of drug-resistant forms of the pathogens. Hence, there remains an urgent need to develop anti-infective agents that target drug-resistant pathogens. In Silico Models for Drug Discovery presents a comprehensive look at the role in silico models play in understanding infectious diseases and in developing novel therapeutics to treat them. Written by leading experts in the field, chapters cover topics such as techniques to derive novel antimicrobial targets, methods of interpreting polypharmacology-based drug target networks, and molecular dynamics techniques used to compute binding energies of drugs to their target proteins, to name a few. Written in the successful Methods in Molecular Biology™ series or in review article format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls.

 

Authoritative and easily accessible, In Silico Models for Drug Discovery seeks to serve both professionals and novices involved in the study and treatment of infectious diseases.

Specificaties

ISBN13:9781627033411
Taal:Engels
Bindwijze:gebonden
Aantal pagina's:265
Uitgever:Humana Press
Druk:2013

Inhoudsopgave

<p>1. Virtual Screening in Drug Design </p><p>Markus Lill</p><p> </p><p>2. In Silico Systems Biology Approaches for the Identification of Antimicrobial Targets </p><p>Malabika Sarker, Carolyn Talcott, and Amit K. Galande</p><p> </p><p>3. Genome Comparisons as a Tool for Antimicrobial Target Discovery</p><p>Hong Sun, Hai-Feng Chen, and Runsheng Chen</p><p> </p><p>4. In Silico Models for Drug Resistance </p><p>Segun Fatumo, Marion Adebiyi, and Ezekiel Adebiyi</p><p> </p><p>5. An In Silico Model for Interpreting Polypharmacological Relationships in Drug-Target Networks </p><p>Ichigaku Takigawa, Koji Tsuda, and Hiroshi Mamitsuka</p><p> </p><p>6. On Exploring Structure–Activity Relationships <p>Rajarshi Guha</p><p> </p><p>7. Molecular Dynamics Simulations in Drug Design </p><p>John E. Kerrigan</p><p> </p><p>8. Databases and In Silico Tools for Vaccine Design </p><p>Yongqun He and Zuoshuang Xiang </p><p> </p><p>9. In Silico Models for B-Cell Epitope Recognition and Signaling </p><p>Hifzur Rahman Ansari and Gajendra P.S. Raghava</p><p> </p><p>10. The Collaborative Drug Discovery (CDD) Database </p><p>Sean Ekins and Barry A. Bunin</p><p> </p><p>11. Recognition of Nontrivial Remote Homology Relationships Involving Proteins of Helicobacter pylori: Implications for Function Recognition </p><p>Nidhi Tyagi and Narayanaswamy Srinivasan</p><p> </p><p>12. Identification of Novel Anthrax Toxin Countermeasures Using In Silico Methods </p><p>Ting-Lan Chiu, Kimberly M. Maize, and Elizabeth A. Amin</p><p> </p><p>13. Rational Design of HIV-1 Entry Inhibitors </p><p>Asim K. Debnath</p><p> </p><p>14. Malarial Kinases: Novel Targets for In Silico Approaches to Drug Discovery</p><p>Kristen M. Bullard, Robert Kirk DeLisle, and Susan M. Keenan</p><p> </p><p>15. Designing Novel Inhibitors of Trypanosoma brucei </p><p>Özlem Demir and Rommie E. Amaro</p><p> </p><p>16. Computational Models for Tuberculosis Drug Discovery </p><p>Sean Ekins and Joel S. Freundlich</p></p><p>Rajarshi Guha</p><p> </p><p>7. Molecular Dynamics Simulations in Drug Design </p><p>John E. Kerrigan</p><p> </p><p>8. Databases and In Silico Tools for Vaccine Design </p><p>Yongqun He and Zuoshuang Xiang </p><p> </p><p>9. In Silico Models for B-Cell Epitope Recognition and Signaling </p><p>Hifzur Rahman Ansari and Gajendra P.S. Raghava</p><p> </p><p>10. The Collaborative Drug Discovery (CDD) Database </p><p>Sean Ekins and Barry A. Bunin</p><p> </p><p>11. Recognition of Nontrivial Remote Homology Relationships Involving Proteins of Helicobacter pylori: Implications for Function Recognition </p><p>Nidhi Tyagi and Narayanaswamy Srinivasan</p><p> </p><p>12. Identification of Novel Anthrax Toxin Countermeasures Using In Silico Methods </p><p>Ting-Lan Chiu, Kimberly M. Maize, and Elizabeth A. Amin</p><p> </p><p>13. Rational Design of HIV-1 Entry Inhibitors </p><p>Asim K. Debnath</p><p> </p><p>14. Malarial Kinases: Novel Targets for In Silico Approaches to Drug Discovery</p><p>Kristen M. Bullard, Robert Kirk DeLisle, and Susan M. Keenan</p><p> </p><p>15. Designing Novel Inhibitors of Trypanosoma brucei </p><p>Özlem Demir and Rommie E. Amaro</p><p> </p><p>16. Computational Models for Tuberculosis Drug Discovery </p><p>Sean Ekins and Joel S. Freundlich</p>

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        In Silico Models for Drug Discovery