Molecular Docking Studies of Plant Derived Compounds | Bioinformatics

Hari Prasath B.

ISBN 10: 3659218480 / ISBN 13: 9783659218484

Published by LAP Lambert Academic Publishing, 2012

Molecular Docking Studies of Plant Derived Compounds | Bioinformatics | Hari Prasath B. | Taschenbuch | Englisch | LAP Lambert Academic Publishing | EAN 9783659218484 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu. Seller Inventory # 106316124

Synopsis:

Molecular docking was carried out against two target proteins which are helpful for MRSA infection with the help of accelrys discovery studio to understand the applicability of the method to differentiate between the active and inactive compounds. Molecular docking of thirty two structurally diverse inhibitors were carried out and it was observed that though some false positives were also obtained; considering the limitations of the available docking programs, the results were promising. The high molecular weight compounds with heterocyclic rings showed very low binding energy, but did not comply with Lipinski’s rule. The active constituents that were docked with the protein are Baicalein, Biochanin, Carnosol, Genistein, Orobol, Resveratrol, Rhein, Gallic acid, Pyrithione, Resveratrol and Linozolid .The compound Orobol was found to interact more towards the target protein like showing highest Dock score.

About the Author: Hari, is an TeachingAssistant at Agricultural College, Coimbatore, Tamil Nadu, India andwas a M.Phil.,(Bioinformatics) at Prist University, Thanjavur, TamilNadau, India & Hewas aM.Sc., (Bioinformatics), BharathiarUniversity,Coimbatore, Tamil Nadu, India. His Research focusedDrug Designing,Agricultural Databases Creation.

Bibliographic Details

Title: Molecular Docking Studies of Plant Derived ...
Publisher: LAP Lambert Academic Publishing
Publication Date: 2012
Binding: Taschenbuch
Condition: Neu