In Silico Screening, Alanine Mutation, and DFT Approaches for Identification of NS2B/NS3 Protease Inhibitors

Table 8

Properties of ligand molecules.

Sl. number	Ligands	Mol.Wt		Hydrogen bond acceptor	Hydrogen bond donor	Free rotatable bonds
1	Ligand7	821.00	4.21	15	6	12
2	Ligand8	499.95	3.12	11	1	9
3	Ligand19	495.53	3.83	10	5	9