In Silico Method for the Screening of Phytochemicals against Methicillin-Resistant Staphylococcus Aureus
Table 5
Toxicities and bioactivities of phytochemicals that followed Ro5.
Names
Toxicities predicted by DataWarrior software
Bioactivities predicted by Molinspiration database
Mutagenic
Tumorigenic
Reproductive effective
Irritant
GPCR ligand
Ion channel modulator
Kinase inhibitor
Nuclear receptor ligand
Protease inhibitor
Enzyme inhibitor
Cyanidin
None
None
None
None
-0.13
-0.09
0.02
0.09
-0.3
0.01
Tetrandrine
None
None
None
None
-0.11
-0.77
-0.62
-0.71
-0.13
-0.44
Cyclomorusin
None
None
None
None
0.1
-0.26
0.01
0.68
-0.12
0.42
Lipomycin
None
None
None
None
0.23
-0.22
-0.29
-0.17
0.31
0.47
Morusin
None
None
None
None
0.11
-0.2
0.03
0.77
-0.12
0.47
Aromadendrin
None
None
None
None
0.05
0.03
-0.07
0.26
0.03
0.29
Rosmarinic acid
None
None
None
None
0.17
-0.08
-0.18
0.57
0.15
0.24
Chrysoeriol
None
None
None
None
-0.05
-0.14
0.25
0.32
-0.26
0.21
α-Lapachone
None
None
None
None
-0.16
-0.05
-0.12
0.41
-0.03
0.44
Mutagenic: cause damage in genetic material; Tumorigenic: tumor causing; Reproductive Effective: interfere in normal reproduction; Irritant: causes slight inflammation or other discomforts to the body; if bioactivity score of a phytochemical is > 0 then it is active; if (-5.0 - 0.0) then moderately active; if < -5.0 then it is inactive.
