Table 2: Prime MMGBSA of hit Compounds from Clerodendrum volubile against the target protein.
S/N |
PUBCHEM ID |
COMPOUNDS NAME |
MMGBSA ∆d BIND (kcal/mol) |
COMPOUND STRUCTURES |
1. |
5280450 |
cis, cis-linoleic acid |
-63.43 |
|
2. |
26612 |
3-hydroxydecanoic acid |
-24.26 |
|
3. |
13849 |
n-pentadecanoic acid |
-44.63 |
|
4. |
985 |
palmitic acid |
-56.88 |
|
5. |
445154 |
Resveratrol |
-41.24 |
|
6. |
119838 |
3,5-dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one |
-38.52 |
|
7. |
5350 |
Sulforaphane |
-26.74 |
|
8.. |
10783 |
chlormethiazole |
-12.37 |
|