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 9

Discovery Studio docking score of aristolochic acids—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	2.87	4.01	65.73	56.18	−0.01	43.61	48.109	341.28	17.054
2	2.65	3.84	45.94	38.92	−0.67	56.46	46.988	341.28	11.694
3	2.25	3.58	62.88	52.65	−0.14	42.59	46.701	341.28	14.191
4	2.63	3.87	53.16	49.23	−0.46	60.07	46.696	341.28	11.898
5	2.63	3.87	53.16	49.23	−0.46	60.07	46.696	341.28	11.898
6	2.05	3.7	46.96	40.16	−1.02	57.5	46.496	341.28	11.68
7	2.33	3.63	59.87	50.33	−0.12	40.09	46.346	341.28	17.017
8	2.85	3.99	51.03	43.63	−0.87	61.62	46.826	341.28	13.07
9	2.57	3.77	41.79	38.24	−1.38	72.98	45.316	341.28	11.037
10	3.96	4.26	65.3	53.94	0.02	38.86	45.251	341.28	13.226