Research Article

Development of White Cabbage, Coffee, and Red Onion Extracts as Natural Phosphodiesterase-4B (PDE4B) Inhibitors for Cognitive Dysfunction: In Vitro and In Silico Studies

Table 1

List of 67 reported test compounds from white cabbage, coffee, and red onion extracts excluding six repeated components.

Sr. no.Test compoundStructureBiological activityReferences

1. White cabbage
AGlucosinolates

1Sinigrin (PubChem ID: 6911854)Wound healing and antiproliferative properties[5254]
2Progoitrin (PubChem ID: 5281139)Antithyroid activity[52, 55]
34-Methoxyglucobrassicin (PubChem ID: 9576738)Antioxidative activity[52, 56]
4Glucobrassicin (PubChem ID: 6602378)Antioxidant activity[52, 57]
5Gluconapin (PubChem ID: 9548620)Hypotriglyceridemia[52, 58]
64-Hydroxyglucobrassicin (PubChem ID: 656561)Antioxidant activity[52, 59]
7Glucoalyssin (PubChem ID: 656523)Antimicrobial activity[60, 61]
8Glucobrassicanapin (PubChem ID: 5485207)Antioxidant activity[60, 62]

BFlavonoids

9Rutin (PubChem ID: 5280805)Anticancer, antioxidant, anti-inflammatory, and antiamyloidogenic activities[6366]
10Quercetin (PubChem ID: 5280343)Antiamyloidogenic, antioxidant, and anti-inflammatory activities[63, 66, 67]
11Catechin (PubChem ID: 9064)Antioxidant, antibacterial, and antimetastatic activities[63, 6870]
12Kaempferol (PubChem ID: 5280863)Antimicrobial, antioxidant antitumor, anti-inflammatory and antiproliferative activities[63, 7173]
13Luteolin (PubChem ID: 5280445)Antiviral, anti-inflammatory, antioxidant, antiallergic, and neuropharmacological activities[63, 7477]
14Cyanidin (PubChem ID: 128861)Antioxidative, anti-inflammatory, and DNA cleavage-protecting activities[63, 7881]

CPhenolic acids

15Chlorogenic acid (PubChem ID: 1794427)Antiulcerogenic, antioxidant, antihepatitis B virus, and DNA-protective activities[8287]
16p-Coumaric acid (PubChem ID: 637542)Antioxidant, antiangiogenic, and antibacterial activities[63, 8890]
17Caffeic acid (PubChem ID: 689043)Antihepatitis B virus and antioxidant activities[63, 85, 91, 92]
18Gallic acid (PubChem ID: 370)Antifungal, cytotoxicity, and antioxidant activities and antibacterial activity[63, 9395]

DOther classes of compounds

19Alpha-tocopherol (PubChem ID: 14985)Antioxidant[96, 97]
20Ascorbic acid (PubChem ID: 54670067)Antioxidative and anti-inflammatory activities[98, 99]
21β-carotene (PubChem ID: 5280489)Antioxidant, antitumor, and anticancer activities[100103]
22Violaxanthin (PubChem ID: 448438)Antiproliferative, antioxidant, and anti-inflammatory[104108]
23Neoxanthin (PubChem ID: 5282217)Antiproliferative and apoptosis in PC-3 human prostate cancer cells activities[104, 109, 110]

2. Coffee
EPhenolic acids

24Chlorogenic acid (PubChem ID: 1794427)Same as no. 15Same as no. 15[37]
25Cryptochlorogenic acid (PubChem ID: 9798666)Anti-inflammatory[111114]
26Neochlorogenic acid (PubChem ID: 5280633)Anti-inflammatory[111, 115]

FAlkaloids

27Caffeine (PubChem ID: 2519)Cognitive enhancing, hepatoprotective activity[37, 116118]
28Trigonelline (PubChem ID: 5570)Anti-invasive, antitumor, antidiabetic, and antimicrobial activities[37, 119122]

3. Red onion
GFlavonoids

29Quercetin (PubChem ID: 5280343)Same as no. 10Same as no. 10[123]
30Quercetin 3,4′-diglucoside (PubChem ID: 5320835)Antioxidant and anticarcinogenic activities[124, 125]
31Quercetin 4′-O-glucoside (PubChem ID: 12442954)Antioxidant activity[124, 126]
32Myricetin (PubChem ID: 5281672)Anticancer, hypoglycemic, and anti-inflammatory activities[127131]
33Taxifolin (PubChem ID: 439533)Anti-inflammatory, digestive enzymes inhibitory, antihyperglycemic, and antiglycation activities[132136]
34Laricitrin (PubChem ID: 5282154)Anticancer, antioxidant, and anti-hypertension[132, 137139]
35Rutin (PubChem ID: 5280805)Same as no. 9Same as no. 9[140]
36Isorhamnetin (PubChem ID: 5281654)Antituberculosis, antiplatelet, antitumor, anti-inflammatory, anticancer, and antioxidant activities[141147]
37Hyperoside (PubChem ID: 5281643)Antiviral, antifungal, antiplatelet, anticancer, and antioxidant activities[132, 148152]
38Spiraeoside (PubChem ID: 5320844)Antitumor, antioxidant, antiviral, antiradical, and enzyme inhibitory activities[132, 153, 154]
39Tectorigenin (PubChem ID: 5281811)Anti-inflammatory, antioxidant, antifungal activity, and antineuroinflammatory activities[132, 155158]

HPhenolic acids

40Ferulic acid (PubChem ID: 445858)Antibacterial, antioxidant, and antimicrobial activities[93, 159161]
41Protocatechuic acid (PubChem ID: 72)Antioxidant, antihyperlipidaemic, and antibacterial activities[159, 162165]
42p-Coumaric acid (PubChem ID: 5281139)Same as no. 16Same as no. 16[124]
43Caffeic acid (PubChem ID: 689043)Same as no. 17Same as no. 17[124]
44Chlorogenic acid (PubChem ID: 1794427)Same as no. 15Same as no. 15[124]

IOrganosulfurs

45Onionin AAntioxidant, antibacterial, cytotoxic, antitumoral, and antimetastatic activities[166169]
46Cycloalliin (PubChem ID: 12305351)Antioxidant activity[170, 171]
47Isoalliin (PubChem ID: 5281112)Antibacterial activity[172, 173]
48Methiin (PubChem ID: 9578071)Antidiabetic and antioxidative activities[172, 174]
49Propiin (PubChem ID: 91819955)[172]
50Allicin (PubChem ID: 65036)Antioxidant, antibacterial, antimalarial, and antimicrobial activities[175179]
51Alliin (PubChem ID: 9576089)Antioxidant and antimicrobial activities[172, 180182]
52S-methyl-L-cysteine (PubChem ID: 24417)Antibacterial and antimicrobial activities[172, 183185]
53S-ethylcysteine (PubChem ID: 25203803)Antioxidative and antiglycative activities[172, 186]
54S-propyl-L-cysteine (PubChem ID: 125198)Antioxidant, antibacterial activities, and anticancer activities[172, 187, 188]
55S-allyl-cysteine (PubChem ID: 9793905)Antioxidant and anti-inflammatory activities[172, 189, 190]
56S-propylmercapto-cysteine (PubChem ID: 192762)Antioxidant activity[172, 191]
57Trisulfide dipropyl (PubChem ID: 22383)Antimicrobial activity[172, 192]
58Diallyl disulfide (PubChem ID: 16590)Antimicrobial and anticarcinogenic activities[172, 193, 194]
59Diisopropyl disulfide (PubChem ID: 77932)Antioxidative activity[172, 195]
60Methyl propenyl disulfide (PubChem ID: 5366552)Antioxidant, antibacterial, and antimicrobial activities[172, 196, 197]
616-Methyl-4,5-dithia-1-heptene (PubChem ID: 525503)[172]

JAnthocyanin

62Cyanidin 3-glucoside (PubChem ID: 12303220)[198]
63Cyanidin 3-laminaribioside (PubChem ID: 44256721)Antioxidant activity[141, 199, 200]
64Cyanidin 3-malonylglucoside (PubChem ID: 10143380)Antimicrobial and antiobesity activities[141, 201203]
65Petunidin 3′-glucoside acetate (PubChem ID: 443651)Antioxidant activity[141, 204]
66Malvidin 3′-glucoside (PubChem ID: 11249520)Antioxidant and anti-inflammatory activities[141, 205, 206]
67Peonidin-3′-glucoside (PubChem ID: 443654)Anti-inflammatory and antioxidant activities[141, 207, 208]

 = first-time repeated compound;  = second-time repeated compound. PubChem IDs were taken from the PubChem website (https://pubchem.ncbi.nlm.nih.gov/) in order to get the 2D structure of compounds for molecular docking.