ABSTRACT
Plant-derived chemicals have found broad application in the treatment of several diseases. Due to the slow recovery and lack of evidence on their medicinal properties, the synthetic drugs appear to be more preferred. However, the synthetic drugs are now considered unsafe due to their side effects. Recently, World Health Organization (WHO) estimated that 80% of the people worldwide now rely on herbal medicine for some aspects of their primary healthcare needs. However, the use of these herbals will require scientific explanations which could also lead to the synthesis of new drugs or lead compounds. To reduce the time spent in the laboratory-scale experiment for studies involving the discovery of new therapeutic compounds, computational tools were invented which have been successfully applied. Moreover, results obtained will need to be validated in the laboratory before clinical trials. This chapter discusses various database tools involved in computational phytochemistry.
