Collective Molecular Activities of the Plant: Vitex Agnus-Castus
Country/Region:
Brazil; Australia; Italy; India; France; Jordan; GermanyTraditional Medicine System:
Unani; HomeopathyMedicinal Functions:
Anaphrodisiac; Aphrodisiac; Diaphoretic; Diuretic; Febrifuge; Galactogogue; Infertility; Ophthalmic; Sedative; Stomachic; Women's complaints
Brazil; Afghanistan; Italy; Turkmenistan; France; Peru; Australia; Iran; Algeria; Cuba; Russia; Jordan; Germany; Dominican Republic; Iraq; Spain; Libya; Turkey; United States; Morocco; Haiti; Bulgaria; Pakistan; Albania; Honduras; Mexico; Egypt; Nicaragua; India; Tunisia; Greece; Cyprus
See the Plant Occurrence Worldwide with Latitude and Longitude Available
Overview of Ingredients
38 All known Ingredients in Total
Unique ingredients have been isolated from this plant.Plant-Ingredients Associations were manually curated from publications or collected from other databases.
24 Ingredients with Acceptable Bioavailablity
Unique ingredients exhibit acceptable human oral bioavailablity, according to the criteria of SwissADME [PMID: 28256516] and HobPre [PMID: 34991690]. The criteria details:SwissADME: six descriptors are used by SwissADME to evaluate the oral bioavailability of a natural product:
☑ LIPO(Lipophility): -0.7 < XLOGP3 < +5.0
☑ SIZE: 150g/mol < MW < 500g/mol
☑ POLAR(Polarity): 20Ų < TPSA < 130Ų
☑ INSOLU(Insolubility): -6 < Log S (ESOL) < 0
☑ INSATU(Insaturation): 0.25 < Fraction Csp3 < 1
☑ FLEX(Flexibility): 0 < Num. rotatable bonds < 9
If 6 descriptors of a natural plant satisfy the above rules, it will be labeled high HOB.
HobPre: A natural plant ingredient with HobPre score >0.5 is labeled high human oral availability (HOB)
20 Ingredients with experimental-derived Activity
Unique ingredients have activity data available.Ingredient Structrual Cards
Ingredient ID: NPC7349
Ingredient ID: NPC60019
Ingredient ID: NPC5286
Ingredient ID: NPC50898
Ingredient ID: NPC49659
Ingredient ID: NPC48288
Ingredient ID: NPC35141
Ingredient ID: NPC324841
Ingredient ID: NPC32441
Ingredient ID: NPC312379
Ingredient ID: NPC311142
Ingredient ID: NPC310817
Ingredient ID: NPC307063
Ingredient ID: NPC292419
Ingredient ID: NPC289906
Ingredient ID: NPC282169
Ingredient ID: NPC277570
Ingredient ID: NPC270849
Ingredient ID: NPC265551
Ingredient ID: NPC263667
Ingredient ID: NPC262826
Ingredient ID: NPC250260
Ingredient ID: NPC248702
Ingredient ID: NPC237779
Ingredient ID: NPC235621
Ingredient ID: NPC234536
Ingredient ID: NPC225434
Ingredient ID: NPC212730
Ingredient ID: NPC210003
Ingredient ID: NPC204044
Ingredient ID: NPC196330
Ingredient ID: NPC190987
Ingredient ID: NPC179950
Ingredient ID: NPC174396
Ingredient ID: NPC16899
Ingredient ID: NPC124183
Ingredient ID: NPC123965
Ingredient ID: NPC120150
Classification of Human Proteins Collectively Targeted by the Plant
Detailed Information of Target Proteins
| Target Type | Protein Class | Gene ID | Protein Name | Uniprot ID | Target ChEMBL ID |
|---|---|---|---|---|---|
| Cytochrome P450 | Cytochrome P450 family 1 | CYP1A1 | Cytochrome P450 1A1 | P04798 | CHEMBL2231 |
| Cytochrome P450 | Cytochrome P450 family 1 | CYP1A2 | Cytochrome P450 1A2 | P05177 | CHEMBL3356 |
| Cytochrome P450 | Cytochrome P450 family 1 | CYP1B1 | Cytochrome P450 1B1 | Q16678 | CHEMBL4878 |
| Cytochrome P450 | Cytochrome P450 family 19 | CYP19A1 | Cytochrome P450 19A1 | P11511 | CHEMBL1978 |
| Therapeutic Target | Hydrolase | ACHE | Acetylcholinesterase | P22303 | CHEMBL220 |
| Therapeutic Target | Lyase | CA4 | Carbonic anhydrase IV | P22748 | CHEMBL3729 |
| Therapeutic Target | Lyase | CA7 | Carbonic anhydrase VII | P43166 | CHEMBL2326 |
| Therapeutic Target | Lyase | CA12 | Carbonic anhydrase XII | O43570 | CHEMBL3242 |
| Therapeutic Target | Nuclear hormone receptor subfamily 1 | NR1H4 | Bile acid receptor FXR | Q96RI1 | CHEMBL2047 |
| Therapeutic Target | Nuclear hormone receptor subfamily 3 | ESR2 | Estrogen receptor beta | Q92731 | CHEMBL242 |
Clinical trials associated with plant from natural product (NP) & plant level:
| Clinical trials type | Number of clinical trials | |
|---|---|---|
 NP level | 7 | |
| NCT ID | Title | Condition | Form in clinical use | Associated by plant or compound |
|---|---|---|---|---|
| NCT02446795 | Isoquercetin as an Adjunct Therapy in Patients With Kidney Cancer Receiving First-line Sunitinib: a Phase I/II Trial | renal cell carcinoma | Isoquercetin (NPC179950) | NP level |
| NCT02552888 | Nitrite, Isoquercetin and Endothelial Dysfunction (NICE) Trial | chronic kidney disease | Isoquercetin (NPC179950) | NP level |
| NCT04474626 | Isoquercetin in Sickle Cell Anemia | sickle cell anemia | Isoquercetin (NPC179950) | NP level |
| NCT04514510 | Fixed Dose Flavonoid Isoquercetin on Thrombo-Inflammatory Biomarkers in Subjects With Stable Sickle Cell Disease | sickle cell anemia | Isoquercetin (NPC179950) | NP level |
| NCT04536090 | Study of Isoquercetin (IQC-950AN) Plus Standard of Care Versus Standard of Care Only for the Treatment of COVID-19 | COVID-19 | Isoquercetin (NPC179950) | NP level |
| NCT04622865 | Masitinib Combined With Isoquercetin and Best Supportive Care in Hospitalized Patients With Moderate and Severe COVID-19 | COVID-19 | Isoquercetin (NPC179950) | NP level |
| NCT04733651 | Study to Investigate the Clinical Efficacy of Isoquercetin in Patients With COVID-19 | COVID-19 | Isoquercetin (NPC179950) | NP level |
❱❱❱ Associated Human Diseases and Detailed Association Evidence
How do we define the Plant-Targeted Human Disease Association?
Associated human diseases of an individual plant are summurized based on FOUR types of association evidence, these include:
❶ Association by Therapeutic Target: Bioactive protein targets of the plant were defined in "Molecular Targets" section, target-disease associations collected from TTD database were subsequently used to build the associations between the plant and its targeted human diseases.
❷ Association by Disease Gene Reversion: Plant and a specific disease will be associated when >= 1 plant target gene overlaped with disease's DEGs.
❸ Association by Clinical Trials of Plant: Plant and a specific disease will be associated when >= 1 clinical trial (the plant is the intervetion) can be matched in ClinicalTrials.gov database.
❹ Association by Clinical Trials of Plant Ingredients: Plant and a specific disease will be associated when >= 1 clinical trial (the plant ingredient is the intervetion) can be matched in ClinicalTrials.gov database.
Associated Disease of the Plant | Association Type & Detailed Evidence |
|---|---|
Acute diabete complicationDisease Category: 05.Endocrine, nutritional or metabolic diseasesDisease ICD-11 Code: 5A2Y |
DPP4
|
Acute myeloid leukaemiaDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2A60 |
KDM1A
|
Adenocarcinoma of bronchus or lungDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C25.0 |
THPO,CA7,XDH,TTR,ACHE,CA12
|
Adenocarcinoma of pancreasDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C10.0 |
CYP1B1,CA7,XDH,TTR,DPP4,ACHE,CA2
|
Adenocarcinoma of prostateDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2C82.0 |
TTR
|
Adenocarcinoma of stomachDisease Category: 02.NeoplasmsDisease ICD-11 Code: 2B72.0 |
CYP19A1
|
Alzheimer diseaseDisease Category: 08.Diseases of the nervous systemDisease ICD-11 Code: 8A20 |
ESR2,ACHE
|
AmyloidosisDisease Category: 05.Endocrine, nutritional or metabolic diseasesDisease ICD-11 Code: 5D00 |
TTR
|
AsthmaDisease Category: 12.Diseases of the respiratory systemDisease ICD-11 Code: CA23 |
CA4
|
Atrial fibrillationDisease Category: 11.Diseases of the circulatory systemDisease ICD-11 Code: BC81.3 |
CA7
|
❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations
>> Targets derived from weak experimental activities
