Evaluation of biotransformed berberine derivatives as anti inflammatory drugs: an in silico study.
The anti inflammatory potential of the human and microbial biotransformed derivatives of berberine were determined by molecular docking. It was revealed that almost all derivatives formed as a result of biotransformation showed increase in phospholipase A(2) binding affinity compared to berberine. The newly introduced -OH group/groups establish stronger hydrogen bonding interactions and more number of van der Waals contacts with the protein. As phospholipase A(2) is a target of anti inflammatory drugs, it might be concluded that certain biotransformed derivatives of berberine could be better anti inflammatory agents compared to berberine.
Department of Biotechnology & Microbiology and Inter University Centre for Bioscience, Kannur University, Thalasserry Campus, Kannur, Kerala, India.
Chandra D
CD
Naveen
G K
GK
Prasanth
C
C
Sadasivan
M
M
Haridas
D000893:Anti-Inflammatory Agents / Q000737:chemistry / Q000494:pharmacology*; D001599:Berberine / Q000031:analogs & derivatives / Q000737:chemistry / Q000494:pharmacology*; D001711:Biotransformation; D003198:Computer Simulation; D006801:Humans; D006860:Hydrogen Bonding; D017665:Hydroxyl Radical / Q000737:chemistry; D008958:Models, Molecular; D054467:Phospholipases A2 / Q000737:chemistry* / Q000378:metabolism; D010936:Plant Extracts / Q000737:chemistry / Q000494:pharmacology*; D011485:Protein Binding
D000893:Anti-Inflammatory Agents; D010936:Plant Extracts; D001599:Berberine; D017665:Hydroxyl Radical; D054467:Phospholipases A2