Potential anti-viral compounds from Malaysian Plant Natural Product Repository and Database (MyNature50000) for DENV2

Figures & data

Table 1. Top 10 plant species with high inhibitory activity towards NS2B/NS3 protease.

Species code^a	Activity (%)	Inhibition (%)	IC50 (µg/mL)
IPNAT 11b/M01	4.72	95.28	2.4397
IPNAT 45a M01	1.44	98.56	3.7673
IPNAT 45b/M01	4.93	95.07	5.2275
IPNAT 47a/M01	2.30	97.70	3.2928
IPNAT 52a/M01	5.89	94.11	−
IPNAT 68a/M01	1.93	98.07	−
IPNAT 80a/ M01	1.81	98.19	−
IPNAT 81a/M01	2.07	97.93	−
IPNAT 88a/M01	6.21	93.79	−
IPNAT 92a/M01	6.30	93.70	−

^a Each plant species was coded for the IPharm My Nature 50,000 plant compounds library. The lowercase letters indicate a different part of the plant: a, leaves; b, stem; g, fruits. The code M01 followed by a slash symbol refers to the methanol extract.

Table 2. Inhibition of dengue virus NS2B/NS3 protease by different extracts of Syzygium grande (IPNAT 45a/M01) and Syzygium campanulatum (IPNAT 11a/M01).

Extracts^a	Plant	Concentration (µg/mL)	Protease inhibition, %
MeOH	Syzygium grande	5	61.95 ± 1.6
	Syzygium campanulatum	3	57.98 ± 1.5
EtOAc	Syzygium grande	5	61.46 ± 1.8
	Syzygium campanulatum	3	64.77 ± 1.7
EtOAc-MeOH	Syzygium grande	5	61.35 ± 1.4
	Syzygium campanulatum	3	63.03 ± 1.3

^a MeOH, methanol; EtOAc, ethyl-acetate; EtOAc-MeOH, mixture of methanol with ethyl-acetate (1:1 ratio).

Figure 1. GC-MS chromatogram of MeOH (a), EtOAc (b) and EtOAc-MeOH (c) leaf extracts of Syzygium grande.

Figure 2. GC-MS chromatogram of MeOH (a), EtOAc (b) and EtOAc-MeOH (c) leaf extracts of Syzygium campanulatum.

Table 3. Biologically active chemical compounds in MeOH, EtOAc and EtOAc-MeOH leaf extracts from Syzygium grande.

Retention time (min)	Compounds	Molecular formula	Molecular weight (g/mol)	Compound nature
MeOH extract
14.408	Cyclododecane	C12H24	168.188	Cycloalkane
17.22	n-Hexadecanoic acid	C16H32O2	256.24	Fatty acid
17.728	Propanoic acid, 3-mercapto-, dodecyl ester	C15H30O2S	274.197	Carboxylic acid
EtOAc extract
11.321	Caryophyllene	C15H24	204.188	Terpenoids
13.365	Caryophyllene oxide	C15H24O	220.183	Terpenoids
14.408	Cyclododecane	C12H24	168.188	Cycloalkane
15.176	Tetradecanoic acid	C14H28O2	228.209	Fatty acid
17.236	n-Hexadecanoic acid	C16H32O	256.24	Fatty acid
EtOAc-MeOH extract
5.163	Hexanoic acid	C6H12O2	116.084	Carboxylic acid
11.321	Caryophyllene	C15H24	204.188	Terpenoids
11.850	Cyclopropane, nonyl-	C12H24	168.188	Cycloalkane
14.408	Cyclododecane	C12H24	168.188	Cycloalkane
17.236	n-Hexadecanoic acid	C16H32O	256.24	Fatty acid
17.728	Propanoic acid, 3-mercapto-, dodecyl ester	C15H30O2S	274.197	Carboxylic acid

Table 4. Biologically active chemical compounds in MeOH, EtOAc and EtOAc-MeOH leaf extracts from Syzygium campanulatum.

Retention time (min)	Compounds	Molecular formula	Molecular weight (g/mol)	Compound nature
MeOH extract
10.728	Alfa.-Copaene	C15H20	200.325	Cyclic-alkene
11.3316	Caryophyllene	C15H24	204.357	Terpenoids
11.5805	Aromandendrene	C15H24	204.357	Cyclic-alkene
12.2954	Alpha.-Muurolene	C15H24	204.357	Aromatic
12.4913	г-Cadinene	C15H24	204.357	Hydrocarbons
13.3809	Caryophyllene oxide	C15H24O	220.356	Sesquiterpenes
EtOAc extract
11.851	Cyclododecane	C12H24	168.188	Cyclolkane
13.291	(−)-Spathulenol	C15H24O	220.183	Alcohol
13.37	Caryophyllene oxide	C15H24O	220.183	Terpenoids
14.408	Cyclododecane	C12H24	168.188	Alkane
15.965	3-Octadecyne	C18H34	250.266	Alkyene
EtOAc-MeOH extract
6.746	Linalool	C10H18O	154.253	Terpene
10.712	Alfa.-Copaene	C15H24	204.36	Cyclic-alkene
11.316	Caryophyllene	C15H24	204.357	Terpenoids
11.565	Aromandendrene	C15H24	204.357	Cyclic-alkene
12.280	Alpha.-Muurolene	C15H24	204.357	Aromatic

Figure 3. Survival curves of SV-HUC-1 and HTB-4 cell lines treated with various concentrations of Syzium grande and Syzium campanulatum methanol leaf extracts.

Table 5. IC₅₀ values of S. grande and S. campanulatum methanol leaf extracts in SV-HUC-1 and HTB-4 cell lines.

Plant extracts	IC50 value in SV-HUC-1 cells (µg/mL)	IC50 value in HTB-4 cells (µg/mL)
Syzygium grande methanol leaf extract	182.57	295.55
Syzygium campanulatum methanol leaf extract	122.21	256.59