GreenMolBD: Nature Derived Bioactive Molecules' Database

Abstract

Aims: One of the most important resources for the development of new drugs is a biologically active lead compound from natural sources. Biomedical researchers and pharmaceutical companies have a high interest in plant-derived molecules that can be used for drug development. Background: The collective knowledge of plants and their phytoconstituents would be of great benefit for the researchers involved in drug design. Therefore, we developed a unique and dynamic database GreenMolBD, to provide collective information of medicinal plants such as their individual profile, chemical constituents and pharmacological evidence, along with their plant parts and extract types based on different studies. Objective: We have also provided a complete profile of each compound, their physical, quantum, drug-likeliness, and toxicity properties (48 type’s descriptor) using in silico tools. Method: 1846 associated targets, related to individual compounds that are already explored in different studies, are also incorporated and synchronized. Result: GreenMolBD is freely accessible and searchable by keywords, plant name, synonym, common name, family name, family synonym, compound name, synonym, IUPAC name, InChI Key, target name and disease name. Conclusion: This is the first evidence-based database of bioactive molecules from medicinal plants specially grown in Bangladesh, which may help to explore and foster nature-inspired rational drug discovery in the future. Our database is continuously updating with the new information.