Evaluating the inhibitory potential of Withania somnifera on platelet aggregation and inflammation enzymes: An in vitro and in silico study

Figures & data

Figure 1. (A) Effect of WS on PLA₂ activity, (B) effect of WS on platelet aggregation, (C) effect of WS on MDA formation and (D) effect of WS on 5-LOX activity. Note: (1) Water extract and (2) 50% ethanol extract. Values are mean ± SD of three independent determinations.

Figure 2. Molecular docking of COX-1, sPLA₂ and 5-LOX with withaferin A and the standard anti-inflammatory drugs (aspirin, quercetin and phenidone), respectively.

Table 1. Hydrogen bonding between withaferin A with COX-1, sPLA₂ and 5-LOX and standard anti-inflammatory drugs (aspirin, quercetin and phenidone), respectively, indicating the comparative atomic contact energy (ACE) values.

S. no.	Description	Atomic contact energy (ACE)	Domains
1	Cox 1 > < aspirin	−138.79	Tyr 39, Cys 41, Gln 42, Gly 45, Leu 152, Gln 461, Glu 465
2	Cox 1 > < withaferin A	−226.72	Trp 139, Phe 142, Val 145, Gly 225, His 226, Arg 374, Asn 375, Asn 376
3	sPLA2 > < quercetin	−200.88	Glu 55, Thr 61, Lys 62, Phe 63, Leu 64, Lys 115
4	sPLA2 > < withaferin A	−257.27	Gly 32, Cys 49, Lys 52, Thr 121, Pro 122, Cys 124
5	5-Lox > < phenidone	−103.61	Cys 97, Glu 132, Thr 614, Ser 382
6	5-Lox > < withaferin A	−128.96	Phe 77, Tyr 98, Arg 99, Asp164, Leu 168, Ser 382, Arg 395, Tyr 396, Tyr 614