Online Published on 20 March, 2023.
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.
Marine derived drugs, Drug discovery informatics, Cheminformatics, AI based drug discovery, Virtual drug screening
