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Dihydroxy berberine from<em> Tinospora cordifolia</em>: <em>In silico</em> evidences for the mechanism of anti-inflammatory action through dual inhibition of Lipoxygenase and Cyclooxygenase

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Title Statement Dihydroxy berberine from<em> Tinospora cordifolia</em>: <em>In silico</em> evidences for the mechanism of anti-inflammatory action through dual inhibition of Lipoxygenase and Cyclooxygenase
 
Added Entry - Uncontrolled Name Jenny, Jacob
B Kumar, Prakash
 
Uncontrolled Index Term 5-LOX; Anti-inflammatory; COX-2; Inflammation; Molecular docking; Tinospora cordifolia
 
Summary, etc. The non-steroidal anti-inflammatory drugs in clinical use have been implicated with side effects on prolonged use. This implies the dearth of a safer alternative to these drugs and can be easily sourced from the huge resources available to us through Ayurveda. <em>Tinospora cordifolia</em> has been used in the preparation of traditional Ayurvedic formulations, with reported anti-inflammatory activities. Molecular docking studies have been used in an attempt to identify and elucidate the mechanism of action of the bioactive compounds in T. cordifolia with dual inhibition of 5-Lipoxygenase (5-LOX) and Cyclooxygenase-2 (COX-2) enzymes for identification of lead compounds. A screening of the compounds identified in the bioactive fraction of T. cordifolia was carried out using the drug-likeness score and the selected compounds were docked with the Glide module of Schrödinger suite 2014 with Maestro 9.3. Dihydroberberine (TC1) was found to be a potent inhibitor of both 5-Lipoxygenase and Cyclooxygenase-2 enzymes. The binding energy of the compounds to the free enzyme was better than when co-crystallized with substrate indicating preference to the enzyme active site. Dihydroberberine can be evaluated further as a promising candidate to develop a safer anti-inflammatory drug.
 
Publication, Distribution, Etc. Indian Journal of Biochemistry and Biophysics (IJBB)
2021-06-01 14:23:30
 
Electronic Location and Access application/pdf
http://op.niscair.res.in/index.php/IJBB/article/view/43374
 
Data Source Entry Indian Journal of Biochemistry and Biophysics (IJBB); IJBB Vol. 58 (3) [June 2021]
 
Language Note en