Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management

• Published in: Scientific reports Vol. 13; no. 1; pp. 13398 - 18
• Main Authors: Agu, P. C., Afiukwa, C. A., Orji, O. U., Ezeh, E. M., Ofoke, I. H., Ogbu, C. O., Ugwuja, E. I., Aja, P. M.
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 17.08.2023; Nature Publishing Group; Nature Portfolio
• Subjects: 631/154/433; 631/154/555; 631/154/556; Dietary supplements; Disease; Disease management; Drug development; Food sources; Functional foods & nutraceuticals; Humanities and Social Sciences; Medical treatment; Molecular modelling; multidisciplinary; Neurodegenerative diseases; Science; Science (multidisciplinary); Sickle cell disease

Molecular docking is a computational technique that predicts the binding affinity of ligands to receptor proteins. Although it has potential uses in nutraceutical research, it has developed into a formidable tool for drug development. Bioactive substances called nutraceuticals are present in food so...