Flavonoids as dual inhibitors of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and in vitro studies
نویسندگان
چکیده
Abstract Background Inflammation is known to involve in many pathological processes of different diseases, but the current therapy causes adverse effects. Thus, there a great interest for discovery flavonoids as valuable alternative classical analgesic and anti-inflammatory agent with dual-inhibitory action, especially on both COX-2 5-LOX which can minimize or overcome this problem. Results In present work, drug-likeness properties synthesized via Lipinski’s Rule Five were predicted using QikProp prior evaluation their COX LOX inhibitory activities enzyme assays. Subsequently, molecular docking was performed GLIDE analyse binding behaviour. The results showed that all compounds obeyed Five. NPC6 NPC7 had displayed better selectivity towards compared Indomethacin less than 50% inhibition against COX-1. addition, these also inhibited activity 5-LOX. Their due hydrophobic region extends lobby near entrance site forming hydrogen bond Ser530. Interestingly, similar mode Zileuton active formed interaction Ala424. Conclusion potential dual inhibitor scaffolds chemical entities are useful be lead
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ژورنال
عنوان ژورنال: Beni-Suef University Journal of Basic and Applied Sciences
سال: 2022
ISSN: ['2314-8543', '2314-8535']
DOI: https://doi.org/10.1186/s43088-022-00296-y