Computational Drug Discovery and Design

Table 1
(continued)

S. No. Structure of compound Target Software used Reference

13 PPARαagonist SQUIRREL

(sophisticated

QUantification of

InteRaction

RELationships)

[32]

14 PPARαagonist SQUIRREL

(sophisticated

QUantification of

InteRaction

RELationships)

[32]

15 Hypothetical

inhibitors for

COX-2

LigBuilder [33]

16 Hypothetical

inhibitors for

COX-2

LigBuilder [33]

17 5HT1B

antagonist

NovoFLAP [34]

De Novo Design of Ligands 77