In Vitro and In Vivo Evaluation of Polyherbal Formulation against Russell’s Viper and Cobra Venom and Screening of Bioactive Components by Docking Studies

Table 11

Discovery Studio docking score of Leucasin—PLA₂ binding. Docking process top ten conformations were generated for each ligand after the energy minimization method based on steepest descent method and conjugate gradient method. Each of the saved conformation was evaluated and then ranked using the dock score. Ligand pose 1 ranged as best pose with dock score and jain value.

Lig pose	Lig score 1	Lig score 2	-PLP1	-PLP2	Jain	-PMF	Dock score	MWT	Lig.INE
1	2.27	3.76	48.71	49.93	−0.55	56.53	50.76	326.39	3.892
2	3.2	4.43	52.4	56.57	−0.08	77.62	48.765	326.39	5.913
3	2.03	3.68	41.8	40.89	−0.66	54.39	48.712	326.39	4.148
4	2.06	3.78	48.65	46.97	−1.07	56.7	48.674	326.39	5.113
5	2.83	3.58	48.66	53.82	−0.063	72.98	48.379	326.39	3.881
6	3.34	4.56	54.43	58.64	0.2	68.12	48.333	326.39	4.011
7	2.04	4.14	49.8	52.73	−0.99	77.05	48.293	326.39	3.645
8	2.36	3.8	39.58	39.05	−0.95	61.75	48.057	326.39	3.016
9	2.93	4.82	61.01	63.18	2.21	90.9	47.778	326.39	2.791
10	2.23	3.6	47.68	47.58	−1.07	56.3	47.326	326.39	4.69