S.NO
|
Protein
(Cox-2) “Chain-A”
|
Ligand
|
Docking Score
|
Bond Length
|
Amio Acid Residue
|
1.
|
COX-2
|
2-( Benzo [d] isoxazol-3-yl)- N- (4-oxo-2-phenylthiazolidin-3-yl) acetamide
|
-12.793 kcal/mol
|
16.0
10.4
17.2
|
PHE224
THR561
GLY552
|
2.
|
COX-2
|
2-(Benzo [d] isoxazol-3-yl)-N-(2-(4-hydroxyphenyl)-4-oxothiazolidin-3-yl) acetamide
|
-11.655 kcal/mol
|
16.3
15.1
7.7
|
SER563
ALA562
ARG321
|
3.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(4-methoxyphenyl)-4-oxothiazolidin-3-yl) acetamide.
|
-11.103 kcal/mol
|
10.8
20.4
20.5
|
LYS557
TRP545
ALA562
|
4.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(3-hydroxyphenyl)-4-oxothiazolidin-3-yl) acetamide.
|
-9.100 kcal/mol
|
15.0
10.8
18.2
|
GLA553
LYS557
LYS360
|
5.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(2-chlorophenyl)-4-oxothiazolidin-3-yl) acetamide.
|
-10.011 kcal/mol
|
7.2
24.6
20.3
|
PHE224
ASN104
PRO106
|
6.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(3-nitrophenyl)-4-oxothiazolidin-3-yl) acetamide.
|
-11.124 kcal/mol
|
24.8
23.6
16.8
|
RRO107
GLU107
PHE361
|
7.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(2-nitrophenyl)-4-oxothiazolidin-3-yl) acetamide.
|
-6.996 kcal/mol
|
15.0
9.2
14.8
|
LYS225
LYS224
THR105
|
8.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(3,4-dimethoxyphenyl)-4-oxothiazolidin-3-yl)acetamide
|
-7.271 kcal/mol
|
23.2
4.3
17.0
|
GLU228
GLU553
LYS225
|
9.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(4-chlorophenyl)-4-oxothiazolidin-3-yl)acetamide.
|
-8.464 kcal/mol
|
15.6
15.0
20.1
|
LYS113
ASN570
TYR225
|
10.
|
COX-2
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(2-hydroxyphenyl)-4-oxothiazolidin-3-yl)acetamide.
|
-8.444 kcal/mol
|
30.3
31.5
30.8
|
ALA303
PRO232
ASP223
|
S.No
|
Protein
|
Ligand
|
Docking Score
|
Bond Length
|
Amio Acid Residue
|
1.
|
Thromboxane
|
2-( Benzo [d] isoxazol-3-yl)- N- (4-oxo-2-phenylthiazolidin-3-yl) acetamide. (5a)
|
-12.57 kcal/mol
|
3.3
3.9
16.5
|
SER275
PHE205
LYS261
|
2.
|
Thromboxane
|
2-(Benzo [d] isoxazol-3-yl)-N-(2-(4-hydroxyphenyl)-4-oxothiazolidin-3-yl) acetamide. (5b)
|
-11.246 kcal/mol
|
10.8
13.7
15.6
|
SER275
LEU271
PHE217
|
3.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(4-methoxyphenyl)-4-oxothiazolidin-3-yl) acetamide. (5c)
|
-10.832 kcal/mol
|
12.0
16.3
5.0
|
SER273
PHE89
ILE43
|
4.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(3-hydroxyphenyl)-4-oxothiazolidin-3-yl) acetamide. (5d)
|
-12.005 kcal/mol
|
12.5
8.9
60.7
|
LEU98
ASP31
ALA243
|
5.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(2-chlorophenyl)-4-oxothiazolidin-3-yl) acetamide. (5e)
|
-12.439 kcal/mol
|
16.6
13.0
16.0
|
PHE217
VAL267
SER187
|
6.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(3-nitrophenyl)-4-oxothiazolidin-3-yl) acetamide. (5f)
|
-10.851 kcal/mol
|
15.1
11.8
14.2
|
PRO276
SER273
GLN263
|
7.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(2-nitrophenyl)-4-oxothiazolidin-3-yl) acetamide. (5g)
|
-11.515 kcal/mol
|
8.5
12.7
6.9
|
MET147
HIS149
LEU65
|
8.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(3,4-dimethoxyphenyl)-4-oxothiazolidin-3-yl)acetamide. (5h)
|
-9.993 kcal/mol
|
5.3
13.6
7.7
|
ASN75
SER163
GLY53
|
9.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(4-chlorophenyl)-4-oxothiazolidin-3-yl)acetamide. (5i)
|
-13.257 kcal/mol
|
4.0
18.1
16.8
|
SER275
ASN87
LYS261
|
10.
|
Thromboxane
|
2-(Benzo[d]isoxazol-3-yl)-N-(2-(2-hydroxyphenyl)-4-oxothiazolidin-3-yl)acetamide. (5j)
|
-11.468 kcal/mol
|
8.7
8.5
8.9
|
ALA306
LEU299
ASN185
|