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. 2025 Aug 25;20(4):535–565. doi: 10.4103/RPS.RPS_123_24

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.