Journal of Pharmacognosy and Phytochemistry
Vol. 8, Issue 2 (2019)
Molecular docking interaction between superoxide dismutase (receptor) and phytochemicals (ligand) from Heliotropium indicum Linn for detection of potential phytoconstituents: New drug design for releasing oxidative stress condition/inflammation of osteoarthritis patients
Beauty Hatai and Sudip K Banerjee
Antioxidant properties of medicinal plants play a very important role in different inflammatory, pain and oxidative stress related diseases. Osteoarthritis is most common musculoskeletal joint disease among middle aged and older people. The present study was attempted to detect potential Phyto-constituents in Heliotropium indicum
against inflammation and pain. Superoxide dismutase (SOD) is an anti-oxidative enzyme and it was increased due to free radical generation or oxidative stress condition. This present study was focused at assessing the target level analysis of antioxidant activity of these (Lupeol and β amyrin) Phyto-constituents through molecular docking studies. The interaction between SOD and phytochemicals from H. indicum
was carried out by using PyRx software to compare energy value and binding site of phytochemicals in reference to established synthetic non-steroidal anti-inflammatory drugs (NSAIDs). This result show that both phytoconstituents (lupeol and β amyrin) possessed potent capacity and is capable of activating SOD and showed better affinity towards SOD. Based on molecular docking we found few phytochemicals of H. indicum
that can be used as lead compounds in future drug development as anti-inflammatory agent at low cost. It is also suggested to carry out functional assay of predicted compounds to validate suitability of this lead.
Pages: 1700-1706 | 2127 Views 1363 Downloads
Beauty Hatai and Sudip K Banerjee. Molecular docking interaction between superoxide dismutase (receptor) and phytochemicals (ligand) from Heliotropium indicum Linn for detection of potential phytoconstituents: New drug design for releasing oxidative stress condition/inflammation of osteoarthritis patients. J Pharmacogn Phytochem 2019;8(2):1700-1706.