IN-SILICO ANALYSIS OF ANDROGRAPHOLIDE AGAINST CANCER
Abstract
Cancer is the uncontrolled growth of abnormal cells in the body. It is the most serious disease on which extensive research is being done all over the world. Structure based drug designing offers a computational approach to identify the potential leads which can be developed into a drug. The In-Silico study of the current work aimed at inhibiting the three major targets of cancer by a natural compound Andrographolide from Andrographis paniculata. This exhibited a minimal energy against the targets hence suggesting the stability of the compound. Comparison studies of the compound with the already available anti-cancer drugs and enzyme inhibitors, stated that andrographolide is efficient to act on the targets by exhibiting promising interactions and good scores. This was also found to obey the Lipinski’s Rule of 5 and computed ADMET properties showed the drug likeliness and improved bioavailability. Since it is from a natural source the compound is non toxic and has reduced side effects.
Keywords:
Cancer, Andrographolide, In-Silico, ADMET, anti-cancer drug, BioavailabilityDOI
https://doi.org/10.25004/IJPSDR.2013.050204References
2. Rall TW, Sutherland EW. Formation of a cyclic adenine ribonucleotide by tissue particles. J. Biol. Chem. 1958; 232: 1065-1076.
3. Chin KV, Yang WL, Ravatn R, Kita T, Reitman E, Vettori D, Cvijic E, Shin M, Iacono L. Reinventing the wheel of cyclic AMP: Novel mechanisms of cAMP signalin. Ann. NY Acad. Sci. 2002; 968:49-64.
4. Rogue PJ, Humbert JP, Meyer A, Freyermuth Y, Krady MM, Malviya AA. cAMP-dependent protein kinase phosphorylates and activates nuclear Ca2+-ATPase. Proc. Natl. Acad. Sci. USA 1998; 95:9178-9183.
5. Antonio C, Carla MC. Protein Kinase A in Cancer. Cancers 2011; 3:913-926; doi: 10.3390/cancers3010913.
6. Forastiere AA, Burtness BA. Epidermal growth factor receptor inhibition in head and neck cancer: more insights, but more questions. J. Clin. Oncol, 2007; 25:2152-2155.
7. Lo HW, Xia W, Wei Y, Seyed MA, Huang SF, Hung MC. Novel prognostic value of nuclear epidermal growth factor receptor in breast cancer, Cancer Res. 2005; 65: 338-348.
8. Hsing CL, Hsing HW, Hung PH, Shieh YS. Epidermal growth factor receptor regulates b-catenin location, stability, and transcriptional activity in oral cancer, Molecular Cancer 2010; 9:64.
9. Weisberg E, Manley PW, Breitenstein W, Brüggen J, Cowan-Jacob SW, Ray A, Huntly B, Fabbro E, Fendrich G, Meyers AH, Kung AL, Mestan J, Catley DG, Cavazza L, Azam C, Neuberg M, Wright D, Gillil RD, Griffin RD. Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl. Cancer Cell 2005; 7(2):129-41.
10. Yang JM, Chen CC. GEMDOCK: A generic evolutionary method for molecular docking. Proteins: Structure, Function and Bioinformatics. 2004; 55:288-304.
11. Karlgren M, Vildhede A, Norinder N, Wisniewski JK, Kimoto E, Lai Y, Haglund U, Artursson P. Classification of Inhibitors of Hepatic Organic Anion Transporting Polypeptides (OATPs): Influence of Protein Expression on Drug- Drug Interactions. J. Med. Chem. 2012; 55:10: 474-482.
Published
Abstract Display: 390 
PDF Downloads: 431 
