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Indo American Journal of Pharmaceutical Research, 2015 ISSN NO: 2231-6876
IN-SILICO ACTIVITY PREDICTION OF PYRROLINE DERIVATIVES
L.Siva Sanker Reddy
*;
P.Navya Krishna; B.Lavanya Lahari; Dr.Y.Siva Rami Reddy; T.Rajkumar;
G.Sivudu;
Dept. of Pharmaceutical Chemistry, Creative Educational Society’s College of Pharmacy N.H-7, Chinnatekur, Kurnool-518218.
Corresponding author
L.Siva Sanker Reddy
Dept. of Pharmaceutical Chemistry,
Creative Educational Society’s College of Pharmacy N.H-7,
Chinnatekur, Kurnool-518218.
shiva_s_rl@yahoo.com,
navyakrishna888@gmail.com.
Copy right © 2015 This is an Open Access article distributed under the terms of the Indo American journal of Pharmaceutical
Research, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
ARTICLE INFO ABSTRACT
Article history
Received 04/02/2015
Available online
12/03/2015
Keywords
Receptors,
Chem.-Sketch,
Drug Analogs,
Docking.
Cancer can be described as the uncontrolled growth of abnormal cells. Protein Kinase plays
major role in cells signaling to undergo many cellular functions. Many targets for the
treatment of cancer cells are available namely stem cells, protein coupled receptors, ErbB
receptor, steroid hormones, proteases, vascular endothelial growth factors, chemokine
receptors and reverse transcriptase/ ribonuclease. The protein-ligand interactions play a
significant role in structural based drug designing. In our present research work we have
chosen protease, reverse transcriptase and endothelial growth factor as targets to screen our
proposed chemical structures for anti-cancer activity. The molecules were docked to the
above said targets and the energy values obtained, using the docking software. Depending on
the energy values we have choosen the best two drug analogs, they are Compound C26 {-
11.3}, Compound C38 {-9.7} .We tried to improve the binding efficiency and steric
compatibility. Several modifications were made to the probable functional groups which are
interacting with receptor molecules. The modified drugs are drawn using ACD Labs were
found to be better than the conventional drugs available.
Please cite this article in press as L.Siva Sanker Reddy et al. In-silico Activity Prediction of Pyrroline Derivatives. Indo American
Journal of Pharm Research.2015:5(02).