Analgesic, Anti-inflammatory, Antipyretic, and In Silico Measurements of Sonneratia caseolaris (L.) Fruits from Sundarbans, Bangladesh

Table 5

Binding characteristics of ligands against NOX5 proteins.

Ligands	Protein	Binding affinity (kcal/mol)	Interacting amino acids
Ascorbic acid	NOX5	–5.3	Ile538, Phe461, Trp695, Pro460, Thr462, His476, Thr541
Vanillic acid		–6.4	Thr462, Thr541, Arg478, His476, Ile538, Phe461, Trp695, Pro460, Ile477
Oleanolic acid		–7.7	Ile538, Arg478, Phe461, Pro460, Pro694, Val480, Thr484, Trp695
Maslinic acid		–7.8	Ile538, Trp695, Phe461, Pro460, Pro694, Arg478, Val480, Thr484
Luteolin		–9.4	Arg478, His476, Thr462, Ile538, Phe461, Ile477, Tyr 445, Pro460, Trp695, Thr484, Val480
Myricetin		–8.9	Thr462, His476, Arg478, His459, Ile477, Ile538, Thr541, Phe461, Pro460, Trp695, Val480, Thr484
Ellagic acid		–10.9	Arg478, Thr541, Thr462, Ile538, Trp695, Pro460, Tyr 445, Phe461, His476

Compounds marked bold showed the best binding affinities.