SerpentinaDB: a database of plant-derived molecules of Rauvolfia serpentina
作者： Shivalika Pathania , Sai Mukund Ramakrishnan , Vinay Randhawa , Ganesh Bagler
DOI: 10.1186/S12906-015-0683-7
关键词:
摘要: Plant-derived molecules (PDMs) are known to be a rich source of diverse scaffolds that could serve as basis for rational drug design. Structured compilation phytochemicals from traditional medicinal plants can facilitate prospection novel PDMs and their analogs therapeutic agents. Rauvolfia serpentina is an important plant, endemic Himalayan mountain ranges Indian subcontinent, reported immense value against various diseases. We present SerpentinaDB, structured 147 R. PDMs, inclusive plant part source, chemical classification, IUPAC, SMILES, physicochemical properties, 3D structures with associated references. It also provides refined search option identification natural molecules against ZINC database at user-defined cut-off. SerpentinaDB exhaustive resource facilitating medicinally products. explore the neighborhood space identify obtained leads. In previous study, we have demonstrated utility this by identifying aldose reductase inhibitors towards intervention complications diabetes.
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