Table 7.

HOMO and LUMO energy, energy gap ΔE and global reactivity indices µ, ω, η and N for drugs.

Drugs	HOMO (eV)	LUMO (eV)	ΔE (eV)	η (eV)	S (eV)	µ (eV)	ω (eV)	N (eV)
Chloroquine	−5.4861	−1.2232	4.2629	2.1315	173.6972	−3.3546	2.6398	3.1698
Delapril	−5.9438	−0.5853	5.3585	2.6792	138.1850	−3.2646	1.9888	2.7121
Enalapril	−5.7435	−0.7380	5.0055	2.5028	147.9282	−3.2407	2.0981	2.9124
Hydroxychloroquine	−6.5095	0.2797	6.7892	3.3946	109.0637	−3.1149	1.4291	2.1464
Lisinopril	−6.6328	−1.0583	5.5745	2.7873	132.8292	−3.8455	2.6527	2.0231
ORE-1001	−6.9346	−1.9323	5.0023	2.5011	148.0248	−4.4334	3.9292	1.7213
Perindopril	−5.6564	0.3793	6.0358	3.0179	122.6789	−2.6386	1.1534	2.9995
Piperaquine	−6.9269	0.0678	6.9947	3.4973	105.8603	−3.4296	1.6815	1.7290
Ramipril	−6.0807	−3.1299	2.9508	1.4754	250.9350	−4.6053	7.1873	2.5752
Ramiprilat	−6.4178	−0.3420	6.0758	3.0379	121.8712	−3.3799	1.8802	2.2381
Trandolapril	−6.1084	−0.7565	5.3519	2.6760	138.3537	−3.4324	2.2013	2.5475

Notes: the HOMO energy -8.6559 eV. of the reference system (TCE) had been calculated at DFT/B3LYP 6-31 G.