Cytotoxic and Antifungal Amides Derived from Ferulic Acid: Molecular Docking and Mechanism of Action
Table 4
Details of the structural models of the investigated proteins.
UniProt accession
ID(a)
Description
Structure source(b)
PDB template
Coverage(c)
QMEAN(d)
A0A1D8PKB6
KRE6
Beta-glucan synthesis-associated protein KRE6
AlphaFold
N.A(e)
N.A
N.A
P29717
XOG1
Glucan 1,3-beta-glucosidase
PDB, 4 m82
N.A
N.A
N.A
A0A1D8PFV8
BHSD
17-Beta-hydroxysteroid dehydrogenase
AlphaFold
N.A
N.A
N.A
A0A1D8PMH9
CWH41
Mannosyl-oligosaccharide glucosidase
SwissModel
4j5t
92%
-2.90
Q5AEC0
SKN2
Involved in beta-1,6 glucan biosynthesis
AlphaFold
N.A
N.A
N.A
A0A1D8PTY8
BGL22
Beta-glucosidase
SwissModel
5fji
90%
-2.00
P43076
PHR1
pH-responsive protein 1
SwissModel
5oa2
84%
-2.04
A0A1D8PKY4
PHR3
1,3-Beta-glucanosyltransferase
SwissModel
5fih
64%
-1.70
Q5AJY5
PGA4
1,3-Beta-glucanosyltransferase
SwissModel
5oa2
73%
-1.64
Q59VW6
PGA5
1,3-Beta-glucanosyltransferase
SwissModel
5oa6
66%
-1.95
O42825
RHO1
GTP-binding protein RHO1
SwissModel
6sge
90%
0.76
P46598
HSP90
Heat shock protein 90
PDB, 6cjj
N.A
N.A
N.A
Q5ANK2
PKC1
Protein kinase C
SwissModel
4otd
30%
-1.29
Q5AAG6
MKC1
Mitogen-activated protein kinase MKC1
SwissModel
5z33
70%
-1.29
A0A1D8PR87
BCK1
Mitogen-activated protein kinase kinase kinase
SwissModel
2xik
20%
-1.57
Q5AAU5
ATC1
Cell wall acid trehalase ATC1
AlphaFold
N.A
N.A
N.A
Q873N2
GWT1
GPI-anchored wall transfer protein 1
AlphaFold
N.A
N.A
N.A
Q5AGA0
MNN1
Alpha-1,3-mannosyltransferase MNN1
AlphaFold
N.A
N.A
N.A
A0A1D8PCT0
GSC1
1,3-Beta-D-glucan-UDP glucosyltransferase
AlphaFold
N.A
N.A
N.A
(a)ID of each target along the manuscript. (b)Source of the structural model: Protein Data Bank (PDB), homology model (SwissModel), or AlphaFold repository (AlphaFold). (c)Coverage of the query sequence by the template. (d)Swiss-Model QMEAN4 score. (e)Not applicable.
