Computational Drug Discovery and Design

Table 1
(continued)

S. No. Structure of compound Target Software used Reference

7 HDAC

inhibitors

PhDD (Pharmacophore-

based de novo design

method of drug-like

molecules)

[28]

8 CDK2

inhibitors

PhDD (Pharmacophore-

based de novo design

method of drug-like

molecules)

[28]

9 Integrase

inhibitors

PhDD (Pharmacophore-

based de novo design

method of drug-like

molecules)

[28]

10 PfDHODH

inhibitors

SPROUT [29]

11 FKBP-12

ligands

LUDI [30]

12 Trypsin

inhibitors

DOGS

(Design of Genuine

Structures)

[31]

(continued)

76 Venkatesan Suryanarayanan et al.