CMAUP Plant Collective Molecular Activities

Collective Molecular Activities of the Plant: Vernonia Arctioides

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PLANiTS DNA barcode

Click for details-----ITS2

Taxonomic Information

Plant ID: NPO6961
Plant Latin Name: Vernonia Arctioides
Taxonomy Genus: Vernonia
Taxonomy Family: Asteraceae

Plant External Links:

NCBI TaxonomyDB: n.a.
Plant-of-the-World-Online: n.a.

Geographical Distribution

See the Plant Occurrence Worldwide with Latitude and Longitude Available

Compounds Summary

Overview of Ingredients

13 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.

13 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): 20Å² < TPSA < 130Å²
  ☑ 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)

7 Ingredients with experimental-derived Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC59092

Ingredient ID: NPC50518

Ingredient ID: NPC291018

Ingredient ID: NPC243524

Ingredient ID: NPC2414

Ingredient ID: NPC233380

Ingredient ID: NPC227489

Ingredient ID: NPC206148

Ingredient ID: NPC173339

Ingredient ID: NPC162268

Ingredient ID: NPC150592

Ingredient ID: NPC113133

Ingredient ID: NPC104182

Classification of Human Proteins Collectively Targeted by the Plant

Target Activity Range: ≤ 1μM Target Type: Individual Protein of Homo sapiens

*The classification criteria of Drug Transporter (DTP), CYP450 are referred to DrugMap. Other molecular targets in CMAUP are classified as therapeutic targets.

Detailed Information of Target Proteins

Target Type	Protein Class	Gene ID	Protein Name	Uniprot ID	Target ChEMBL ID
Therapeutic Target	Protein Kinase	MAPK1	MAP kinase ERK2	P28482	CHEMBL4040
Therapeutic Target	Protein Kinase	CHEK2	Serine/threonine-protein kinase Chk2	O96017	CHEMBL2527
Therapeutic Target	Protein Kinase	CHEK1	Serine/threonine-protein kinase Chk1	O14757	CHEMBL4630

Clinical Trials Summary

Overview

Clinical trials associated with plant from natural product (NP) & plant level:

Clinical trials type	Number of clinical trials

Clinical trial details

NCT ID	Title	Condition	Form in clinical use	Associated by plant or compound

❱❱❱ 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
Solid tumour/cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A00-2F9Z	CHEK1,CHEK2,MAP2K1,MAPK1
Germ cell tumour of testis Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C80.2	CHEK1,MAP2K1,MAPK1
Melanoma Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C30	MAPK1,MAP2K1
Lung cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C25	MAP2K1,CHEK1
Pancreatic cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C10	CHEK1,MAPK1
Diffuse large B-cell lymphomas Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A81	CHEK1,CHEK2
Squamous cell carcinoma of bronchus or lung Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C25.2	CHEK1,CHEK2
Adenocarcinoma of pancreas Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C10.0	CHEK1,CHEK2
Hepatocellular carcinoma of liver Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C12.02	CHEK1,CHEK1
Malignant neoplasms of oesophagus Disease Category: 02.Neoplasms Disease ICD-11 Code: 2B70	CHEK1,CHEK2
Adenocarcinoma of bronchus or lung Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C25.0	CHEK1,CHEK2
Ovarian cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C73	CHEK1
Hodgkin lymphoma Disease Category: 02.Neoplasms Disease ICD-11 Code: 2B30	CHEK1
Anal cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C00	CHEK1
Arteries/arterioles disorder Disease Category: 11.Diseases of the circulatory system Disease ICD-11 Code: BD52	MAPK1
Head and neck cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2D42	CHEK1
Thyroid cancer Disease Category: 02.Neoplasms Disease ICD-11 Code: 2D10	MAP2K1
Mature T-cell lymphoma Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A90	CHEK1
Carcinosarcoma of uterus Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C76.43	CHEK2
Serous cystadenoma,borderline malignancy of ovary Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C73.4	CHEK1
Malignant neoplasms of biliary tract, distal bile duct Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C15	CHEK1
Hepatoblastoma Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C12.01	CHEK1
Adenocarcinoma of stomach Disease Category: 02.Neoplasms Disease ICD-11 Code: 2B72.0	CHEK1
Other specified malignant neoplasms of kidney, except renal pelvis Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C90.Y	CHEK2
Mesothelioma of pleura Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C26.0	CHEK2
Urothelial carcinoma of bladder Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C94.2	CHEK1
Malignant neoplasms of corpus uteri, unspecified Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C76.Z	CHEK1
Malignant neoplasms of thymus Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C27	CHEK2
Invasive carcinoma of breast Disease Category: 02.Neoplasms Disease ICD-11 Code: 2C61	CHEK1
Malignant neoplasms of adrenal gland Disease Category: 02.Neoplasms Disease ICD-11 Code: 2D11	CHEK1
Gliomas of brain Disease Category: 02.Neoplasms Disease ICD-11 Code: 2A00.0	CHEK2

❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations

Plant-Targeted Human Disease Network

Data Section	Select to Download
1. General Info & Plant Usage & Geographical Distribution
2. Plant Ingredients
3. Collective Molecular Proteins
4. Collective Enriched Activities
5. Plant molecular targets overlapping with DEGs
6. Associated clinical trials
7. Associated Human Diseases

Collective Molecular Activities of the Plant: Vernonia Arctioides

Click for details-----ITS

Click for details-----ITS1

Click for details-----ITS2

Plant External Links:

See the Plant Occurrence Worldwide with Latitude and Longitude Available

Overview of Ingredients

13 All known Ingredients in Total

13 Ingredients with Acceptable Bioavailablity

7 Ingredients with experimental-derived Activity

Ingredient Structrual Cards

Classification of Human Proteins Collectively Targeted by the Plant

Detailed Information of Target Proteins

❱❱❱ Associated Human Diseases and Detailed Association Evidence

Associated Disease of the Plant

Association Type & Detailed Evidence

Solid tumour/cancer

Germ cell tumour of testis

Melanoma

Lung cancer

Pancreatic cancer

Diffuse large B-cell lymphomas

Squamous cell carcinoma of bronchus or lung

Adenocarcinoma of pancreas

Hepatocellular carcinoma of liver

Malignant neoplasms of oesophagus

Adenocarcinoma of bronchus or lung

Ovarian cancer

Hodgkin lymphoma

Anal cancer

Arteries/arterioles disorder

Head and neck cancer

Thyroid cancer

Mature T-cell lymphoma

Carcinosarcoma of uterus

Serous cystadenoma,borderline malignancy of ovary

Malignant neoplasms of biliary tract, distal bile duct

Hepatoblastoma

Adenocarcinoma of stomach

Other specified malignant neoplasms of kidney, except renal pelvis

Mesothelioma of pleura

Urothelial carcinoma of bladder

Malignant neoplasms of corpus uteri, unspecified

Malignant neoplasms of thymus

Invasive carcinoma of breast

Malignant neoplasms of adrenal gland

Gliomas of brain

❱❱❱ Network Visualization of Plant-Targeted Human Disease Associations

>> Targets derived from weak experimental activities