Non-Steroidal Anti-Inflammatory Drugs in Cyclooxygenases 1 and 2 : Binding modes and mechanisms from computational methods and free energy calculations

Non-Steroidal Anti-Inflammatory Drugs in Cyclooxygenases 1 and 2 : Binding modes and mechanisms from computational methods and free energy calculations

Non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most commonly used classes of drugs. They target the cyclooxygenases (COX) 1 and 2 to reduce the physiological responses of pain, fever, and inflammation. Due to their role in inducing angiogenesis, COX proteins have also been identified...

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Bibliographic Details
Main Author: Shamsudin Khan, Yasmin
Format: Doctoral Thesis
Language:English
Published: Uppsala universitet, Beräkningsbiologi och bioinformatik 2017
Subjects:
molecular dynamics simulations
binding free energy
molecular docking
cyclooxygenase
non-steroidal anti-inflammatory drugs
free energy perturbation
potentials of mean force
Pharmaceutical Biotechnology
Läkemedelsbioteknik
Online Access:http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-328478
http://nbn-resolving.de/urn:isbn:978-91-513-0073-3

Internet

http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-328478
http://nbn-resolving.de/urn:isbn:978-91-513-0073-3

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