Diese Präsentation wurde erfolgreich gemeldet.
Wir verwenden Ihre LinkedIn Profilangaben und Informationen zu Ihren Aktivitäten, um Anzeigen zu personalisieren und Ihnen relevantere Inhalte anzuzeigen. Sie können Ihre Anzeigeneinstellungen jederzeit ändern.


2.807 Aufrufe

Veröffentlicht am

Difference between SAR & QSAR

Veröffentlicht in: Wissenschaft
  • Als Erste(r) kommentieren


  1. 1. Presented by Mr. Bharat Kumar 17mph202 Guided by Dr. Vivek Vyas Assistant professor Department of Pharmacology, Institute of Pharmacy, Nirma university, Ahmedabad SAR / QSAR
  2. 2. Definition SAR (Structure activity relationship)  The analysis of the dependence of biological effects of a chemical upon its molecular structure.  Molecular structure and biological activity are correlated by observing the results of systematic structural modification on defined biological endpoints. QSAR (Quantitative structure activity relationship)  A QSAR is a mathematical relationship between a biological activity of a molecular system and its geometric and chemical characteristics.
  3. 3. SAR / QSAR “SAR is a qualitative not a quantitative relationship”
  4. 4. Structure Activity Relationship (SAR) Aim - Identify which functional groups are important for binding and/or activity Method  Alter, remove or mask a functional group  Test the analogue for activity  Modifications may disrupt binding by electronic / steric effects  Easiest analogues to make are those made from lead compound  Possible modifications may depend on other groups present  Some analogues may have to be made by a full synthesis (e.g. replacing an aromatic ring with a cyclohexane ring)  Allows identification of important groups involved in binding
  5. 5. QSAR (Quantitative structure activity relationship)  2D analysis – In this two types  Hansch analysis –  Free-Wilson Analysis -
  6. 6. QSAR (Quantitative structure activity relationship)  3D analysis  Comparative Molecular Field Analysis (CoMFA) - It provide a. Steric values b. Electrostatic values  Comparative Molecular Similarity Index Analysis (CoMSIA) - It provide steric and electrostatic values and consider 1. H - bond donor 2. H - bond acceptor 3. Hydrophobic field