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. Author manuscript; available in PMC: 2024 Apr 1.
Published in final edited form as: J Biomed Inform. 2023 Mar 17;140:104341. doi: 10.1016/j.jbi.2023.104341

Table A.3.

Results from meta-path discovery in NP-KG for natural product-drug pairs. Meta-path descriptions are available in Figure 4.

Meta-path Results
Green Tea – Raloxifene
Green tea | Green tea constituent – Relation – Raloxifene 1. EGCG inhibits raloxifene
2. EGCG coexists with raloxifene
3. EGCG interacts with raloxifene
RaloxifeneRelationGreen tea | Green tea constituent No results
Green tea | Green tea constituentRelation AEnzyme or TransporterRelation BRaloxifene No results
Green tea | Green tea constituentRelation AEnzyme or Transporter, RaloxifeneRelation BEnzyme or Transporter 1. Green tea inhibits UGT, Raloxifene inhibits/interacts with UGT
2. ECG inhibits UGT, Raloxifene inhibits/interacts with UGT
3. Catechin positively regulates/interacts with/directly regulates activity of UGT, Raloxifene inhibits/interacts with UGT
4. Catechin positively regulates CYP3A4, Raloxifene inhibits CYP3A4
5. EGCG inhibits/positively regulates UGT, Raloxifene inhibits/interacts with UGT
6. EGCG positively regulates CYP3A4, Raloxifene inhibits/interacts with UGT
Green Tea – Nadolol
Green tea | Green tea constituent – Relation – Nadolol 1. Green tea inhibits nadolol
2. EGCG inhibits nadolol
3. EGCG directly regulates activity of nadolol
4. Catechin interacts with nadolol
NadololRelationGreen tea | Green tea constituent 1. Nadolol positively regulates EGCG
2. Nadolol interacts with EGCG
3. Nadolol positively regulates catechin
4. Nadolol positively regulates green tea leaf
Green tea | Green tea constituentRelation AEnzyme or TransporterRelation BNadolol SLCO1A2 gene (OATP1A2)
Green tea | Green tea constituentRelation AEnzyme or Transporter, NadololRelation BEnzyme or Transporter See Tables A.4 and A.5.
Kratom – Midazolam
Kratom | Kratom constituent – Relation – Midazolam No results
MidazolamRelationKratom | Kratom constituent 1. Mitragynine inhibits midazolam
2. Mitragynine positively regulates midazolam
Kratom | Kratom constituentRelation AEnzyme or TransporterRelation BMidazolam No results
Kratom | Kratom constituentRelation AEnzyme or Transporter, MidazolamRelation BEnzyme or Transporter 1. Mitragynine interacts with/inhibits/directly regulates activity of/directly positively regulates quantity of CYP3A4, Midazolam is substrate of/interacts with CYP3A4
2. Mitragynine inhibits/interacts with/positively regulates CYP2D6, Midazolam inhibits CYP2D6
3. Mitragynine inhibits/directly negatively regulates quantity of ABCB1, Midazolam interacts with ABCB1
Kratom – Quetiapine
Kratom | Kratom constituent – Relation – Quetiapine No results
QuetiapineRelationKratom | Kratom constituent No results
Kratom | Kratom constituentRelation AEnzyme or TransporterRelation BQuetiapine No results
Kratom | Kratom constituentRelation AEnzyme or Transporter, QuetiapineRelation BEnzyme or Transporter 1. Mitragynine interacts with/inhibits/directly regulates activity of/directly positively regulates quantity of CYP3A4, Quetiapine is substrate of CYP3A4
2. Mitragynine inhibits/directly negatively regulates quantity of P-glycoprotein, Quetiapine transports P-glycoprotein
Kratom – Venlafaxine
Kratom | Kratom constituent – Relation – Venlafaxine No results
VenlafaxineRelationKratom | Kratom constituent No results
Kratom | Kratom constituentRelation AEnzyme or TransporterRelation BVenlafaxine No results
Kratom | Kratom constituentRelation AEnzyme or Transporter, VenlafaxineRelation BEnzyme or Transporter 1. Mitragynine interacts with/inhibits/directly regulates activity of/directly positively regulates quantity of CYP3A4, Venlafaxine is substrate of CYP3A4
2. Mitragynine inhibits/interacts with/positively regulates CYP2D6, Venlafaxine is substrate of/inhibits CYP2D6