Designing and Molecular Modeling Studies on Novel Bisindole-imidazopyridine Against Adrenocarcinoma

  • kapish kapoor MASTER OF PHARMACY


Adrenocarcinoma is an uncontrolled growth of epithelial cells originating in the ducts or breast lobules. EGFR or Epidermal growth factor receptor is a transmembrane protein with cytoplasmic kinase activity that transduces important growth factor signaling from the extracellular milieu to the cell. 45 bisindole-imdazopyridine analogues were obtained from the literature. Free-wilson QSAR studies were erformed on the given data set. Compounds were designed on the basis of QSAR studies. Further, Molecular docking studies were performed on the designed compounds to check the binding affinity on the protein. After that Drug-likeliness and ADMET studies were performed on the selected molecules. The results revealed that the selected analogues can be used against the treatment of adrenocarcinoma.

Keywords: Adrenocarcinoma, bisindole-imidazopyridine, QSAR, Molecular Docking, ADME studies.


Download data is not yet available.


1. IARC, “World Cancer Report 2014”. World Health Organization. 2014. pp. Chapter 5.3. ISBN 978-92-832-0429-9.
2. Ignacio G. “Low and high voltage electrochemotherapy for breast cancer : an in vitro model study”. Electroporation based therapies for cancer. ScienceDirect.
3. Edridge L “Management of EGFR Positive lung cancer”. VeryWellHealth. Updated march 13, 2019.
4. Santos G.C. “EGFR Mutations and Lung Cancer”. Annual Reviews of Pathology Mechanism of Disaster. 2011. 6:49-49.
5. Reddy Dr. R. “Mechanism of Action of EGFR Mutation”. Department of respiratory medicine. Kettering hospital. Kettering. UK. Thorax 2013. Pg 68.
6. Sunkari S “Synthesis and biological evaluation of new bisindole-imidazopyridine hybride as apoptosis inducers”. Bio-organic chemistry, 21-3-19. Pg. 61
7. Ravichandran V. “Validation of QSAR models – Strategies and Importance”. International Jounal of Drug Design and Discovery. Vol 2. Issue 3. July-sept. 2011 Pg. 511-519.
8. Ye Deng “Semi-synthesis, anti-bacterial activity and molecular docking study of novel pleuromutilin derivatives bearing cinnamic acid moieties”. ArchPharm chemical life sciences. 2018.
9. Scott A “cancer cell, Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2”. Elsevier inc. april 2016.
10. Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., “Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity.” J. Computational Chemistry 2009, 16: 2785-91
11. Lee SK, Chang GS, Lee IH, Chung JE, Sung KY, No KT, “The PreADME: PC-BASED PROGRAM FOR BATCH PREDICTION OF ADME PROPERTIES“, EuroQSAR 2004, 2004, 9.5-10, Istanbul, Turkey.
12. Lee SK, Lee IH, Kim HJ, G.S.Chang, J.E.Chung, K.T.No, “The PreADME Approach: Web-based program for rapid prediction of physico-chemical, drug absorption and drug-like properties“, EuroQSAR 2002 Designing Drugs and Crop Protectants: processes, problems and solutions, 2003, pp. 418-420. Blackwell Publishing, Massachusetts, USA.
24 Views | 70 Downloads
How to Cite
MOURYA, A., & kapoor, kapish. (2019). Designing and Molecular Modeling Studies on Novel Bisindole-imidazopyridine Against Adrenocarcinoma. Journal of Drug Delivery and Therapeutics, 9(3-s), 549-552.