Informatics for exploring miracle cures from the ocean

Authors

  • Chithra J S Dr. Moopan’s Medical College, Naseera Nagar Mepadi P.O, Wayanadu, Kerala 673577.

Keywords:

Marine derived drugs, Drug discovery informatics, Cheminformatics, AI based drug discovery, Virtual drug screening

Abstract

New drugs to combat various diseases are often derived by modification of natural products or inspired from them. The marine natural products have high molecular diversity and provide wide spectrum of bioactivities. Still their application in drug research is limited and underexploited. Application of informatics – bioinformatics, cheminformatics, drug discovery informatics- and artificial intelligence based approaches may enhance the marine based drug discovery. In silico screening of compounds with good ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties, artificial intelligence (AI) enabled prediction of drug targets for specific diseases and identification of molecules as drug candidates etc. accelerate the drug discovery process even though some unmet informatics challenge exists.

Author Biography

  • Chithra J S, Dr. Moopan’s Medical College, Naseera Nagar Mepadi P.O, Wayanadu, Kerala 673577.

    Chithra J S is working as a Senior Scientist at the Department of Research & Innovation at Dr Moopens Medical College, Wayanad, Kerala.  She along with an enthusiastic team of researchers, in the pursuit of extracting bioactive compounds from marine resources to develop Nutra-cosmeceuticals, has founded Posei-Derma which is currently incubated at the Dept. of Zoology, University of Kerala. Chithra received her Ph.D. in Biotechnology from Rajiv Gandhi Center for Biotechnology, Kerala, India, and her MSc from Mahatma Gandhi University, Kottayam, Kerala, India. She has been selected for research fellowships by the Council of Scientific and Industrial Research and Department of Biotechnology, Govt. of India, and has articles published in international peer-reviewed journals, conferences, and books to her credit. She also worked as a senior scientist at Next Big Innovation Labs, Bangalore, India in the domain of 3D-bioprinting of organs. She can be contacted at jschithra@gmail.com.

References

Cortes, J., O'Shaughnessy, J., Loesch, D., Blum, J. L., Vahdat, L. T., Petrakova, K., ... & Twelves, C. (2011). Eribulin monotherapy versus treatment of physician's choice in patients with metastatic breast cancer (EMBRACE): a phase 3 open-label randomised study. The Lancet, 377(9769), 914-923.

Drews, J. (2000). Drug discovery: a historical perspective. science, 287(5460), 1960-1964.

Gunasekera, S. P., Gunasekera, M., Longley, R. E., & Schulte, G. K. (1990). Discodermolide: a new bioactive polyhydroxylated lactone from the marine sponge Discodermia dissoluta. The Journal of Organic Chemistry, 55(16), 4912-4915.

Kumagai, Y., Miyabe, Y., Takeda, T., Adachi, K., Yasui, H., & Kishimura, H. (2019). In silico analysis of relationship between proteins from plastid genome of red alga Palmaria sp.(Japan) and angiotensin I converting enzyme inhibitory peptides. Marine drugs, 17(3), 190.

Look, S. A., Fenical, W., Jacobs, R. S., & Clardy, J. (1986). The pseudopterosins: anti-inflammatory and analgesic natural products from the sea whip Pseudopterogorgia elisabethae. Proceedings of the National Academy of Sciences, 83(17), 6238-6240.

McBride, A., & Butler, S. K. (2012). Eribulin mesylate: a novel halichondrin B analogue for the treatment of metastatic breast cancer. American journal of health-system pharmacy, 69(9), 745-755.

Murti Y, Agarwal T. Marine derived pharmaceuticals-development of natural health products from marine biodiversity. Int J ChemTech Res. 2010;2:2198–217.

Stokes, J. M., Yang, K., Swanson, K., Jin, W., Cubillos-Ruiz, A., Donghia, N. M., & Collins, J. J. (2020). A deep learning approach to antibiotic discovery. Cell, 180(4), 688-702.

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Published

2022-09-27