Table 4.
Comparing the molecular docking of our proposed compounds with some blockers presented in several articles.
| Protein name | Compound | Docking score (kcal/mol) | Blocker | Docking score (kcal/mol) | Reference |
|---|---|---|---|---|---|
| GP63 | Withaperuvin D Lagerstannin A Physagulin D Luteolin 7-O-(6"-malonylglucoside) |
-9.2 -9.2 -9.1 -9.0 |
Bisphosphonate Podocarpusflavone A bipinnatone A medicagenina |
-5.7 -8.5 -8.0 -8.0 |
(48) (49) (26) (26) |
| FPPS | Strictinin cucurbitacin I 2-O-beta-D-glucopyranoside Corilagin Hinokiflavone |
-10.1 -9.7 -9.6 -9.5 |
Bisphosphonate Phenylbutazone Podocarpusflavone B 3-Fluoro-1-(2-hydroxy-2,2- diphosphonoethyl)pyridinium |
-6.6 -6.3 -8.4 -64 |
(48) (50) (49) (27) |
| NMT | Chelidimerine Friedelin Hypericin Bismahanine |
-14.1 -12.7 -12.5 -11.7 |
Bisphosphonate Piperidinylindole Amphotericin B Thienopyrimidine |
-6.4 -9.2 -5.0 -4.6 |
(48) (51) (9) (52) (9) |
GP63, Glycoprotein 63; FPPS, farnesyl diphosphate synthase; NMT, N-myristoyltransferase.