Table 1 Compounds and drugs selected using molecular docking method.

From: Repurposing FDA-approved drugs and natural compounds to inhibit the RNA-dependent RNA polymerase domain of dengue virus 2 or dengue virus 3

FDA-approved drug and natural compounds against the RdRp domain of DENV-2

FDA-approved drug and natural compounds against the RdRp domain of DENV-3

IUPAC name

Compound

IUPAC name

Compound

3-[6-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid

Lumacaftor (VX_809)

2S,3R,5S,6R-2-[4-chloro-3[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Empagliflozin

N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

Clofazimine

[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate

Netarsudil

4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl) benzenesulfonamide

Valdecoxibe

5-[3-(2-Carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid

Cromolyn

2-Chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl) benzenesulfonamide

Chlorthalidone

3-[6-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid

Lumacaftor(VX_809)

(3S)-6,7′-dihydroxy-10′-methoxyspiro[1,2-dihydroindene-3,3′-naphtho[2,1-e][1]benzofuran]-2′-one

ZINC13378516

(E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-[(2R)-6-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one

ZINC13375652

(13aS,14S)-3,7-dimethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-10-ium-6,14-diol

ZINC14824819

(1R,13R)-7,7-dimethyl-8,20-dioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2,4(9),5,10,14(19),15,17-heptaene-1,17-diol

ZINC85510542

9-(6-Hydroxy-1,3-benzodioxol-5-yl)-4-methoxy-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

ZINC01532028

(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,11a-triol

ZINC85491556

(1S,15S,23R)-6,11-dihydroxy-9-methoxy-22-oxahexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-2(7),3,5,8,10,12(24),16,18,20-nonaen-13-one

ZINC95913991

3-[2-(7-Hydroxy-2,2,8-trimethylchromen-5-yl)ethyl]benzene-1,2-diol

ZINC14679204

5-(1,3-Benzodioxol-5-yl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

ZINC01619649

  
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