Table 2. The designed novel nanoparticle was used for molecular docking studies and best docking scores of the ligands A and B are presented.

PDB	Ligand	XP GScore	Glide evdw	Glide ecoul	Glide energy
1MBT	A	–6.002	–45.282	–7.838	–53.121
	B	–6.914	–37.405	–3.811	–41.216
2XCT	A	–7.243	–80.123	–2.432	–65.990
	B	–4.499	–34.541	–1.489	–33.051
1Y6A	A	–8.670	–21.908	–7.925	–29.833
	B	–4.613	–32.925	–4.923	–37.848
2ITY	A	–8.142	–38.879	–14.404	–53.283
	B	–6.277	–38.072	–10.062	–48.134
2YBF	A	–4.422	–28.954	–6.352	–35.303
	B	–3.101	–25.343	–2.241	–27.585