Details of the Drug Formulation (DFM)

General Information of DFM (ID: F20027)
Name
Simethicone 80 mg tablet
Company
Valley Medical Products
Active Pharmaceutical Ingredient (API) Simethicone API Info click to show the detail info of this API
Irritable bowel syndrome ICD-11: DD91 Approved
Drug Inactive Ingredient (DIGs)
DIG ID DIG Info DIG Name DIG Functional Class
E0JA5E DIG Info Calcium carbonate Binding agent ...
E0NN4I DIG Info Dextrin Binding agent ...
E04KTP DIG Info Sucralose Flavoring agent
Full List of Biological Targets of DIG (DBTs) Regulated by DIG(s) in This DFM
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Carbonic anhydrase II (CA2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Sucralose
                    Biological Activity Ki = 300 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH2_HUMAN
            DBT Name: Carbonic anhydrase IX (CA9) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Sucralose
                    Biological Activity Ki = 2200 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH9_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Calcium carbonate
                    Biological Activity Ki = 8600 nM (estimated based on the structural similarity with CHEMBL1161632 ) [2]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH9_HUMAN
            DBT Name: Carbonic anhydrase VII (CA7) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Calcium carbonate
                    Biological Activity Ki = 160000 nM (estimated based on the structural similarity with CHEMBL1161632 ) [3]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH7_HUMAN
      Cell line (CELL)
            DBT Name: Colon cancer Caco-2 cells (Caco-2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Interacting DIG Dextrin
                    Biological Activity Inhibition ratio > 55 % (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
References
1 Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.
2 Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate. Bioorg Med Chem Lett. 2005 Feb 1; 15(3):567-71.
3 Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions. Bioorg Med Chem Lett. 2006 Jun 15; 16(12):3139-43.
4 Interactions between human multidrug resistance related protein (MRP2; ABCC2) and excipients commonly used in self-emulsifying drug delivery systems (SEDDS). Int J Pharm. 2013 Apr 15;447(1-2):192-8.

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