100
Table 4.5 (continued)
Organism
Disease
Methods applied for
analysis
Outcome
Reference
Shigella flexneri 2a Dysentery
KEGG; BLASTp;
STRING; ExPASy;
MODELLER v9;
PROCHECK;
SWISS- MODEL
Workspace; APBS
server; PyMOL;
CASTp server;
BindingDB; Zinc
database; PubChem;
Molinspiration;
SEArch; Druglikeness tool; OSIRIS
Property Explorer;
ADME SARfari;
admet- SAR; Swiss
database; QikProp
6 unique targets
Molina
et al. (2018)
Corynebacterium
pseudotuberculosis
strains
Lymphadenitis
Pathosystems
Resource Integration
Center (PATRIC)
New putative
target, the gene
nrdF2 – described
as a potential target
of M. tuberculosis
Parise et al.
(2018)
Zika virus
Zika viral
infection,
dengue,
chikungunya
Protparam software;
Aliphatic Index
method; KyteDoolittle method;
Kyte-Doolittle
hydropathy plot;
Clustal Omega
software;
SWISSMODEL
server; RAMPAGE
and PROSA (Protein
Structure Analysis)
software; ChemAxon;
AutoDock
Some compounds
showed a better
binding affinity
with Zika envelope
protein compared
to dengue virus
Chellasamy
and
Devarajan
(2019)
Trypanosoma cruzi
CL-Brener
Chagas
BLASTp;
MODELLER 9v16;
UCSF CHIMERA;
ERRAT and VERIFY
3D (SAVES server
and MOLPROBITY);
ClustalW; Pymol
v1.8.2.1; TM-align
algorithm; PubChem;
Maestro; PROPKA;
GlideXP;
HIV aspartic
peptidase inhibitors
bind to the active
site of the enzyme
(ritonavir and
lopinavir have the
greater affinity); T.
cruzi aspartyl
peptidase can be
the intracellular
target
Castilho
et al. (2018)
(continued)
M. Santana et al.