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Table 1 'E': enzyme; 'I': Inhibitor. Currently, we have only applied the mass action law for implementing biochemical reaction

From: A microRNA molecular modeling extension for prediction of colorectal cancer treatment

Sirolimus treatment CRC patient + sirolimus CRC patient
Molecular modeling mTor complex II (E); Sirolimus (I) mTor complex II (E)
PRKCG + ATP → → → P-PRKCG + ADP PRKCG + ATP → → → P-PRKCG + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
SGK + ATP → → → P-SGK + ADP SGK + ATP → → → P-SGK + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
PRKCA + ATP → → → P-PRKCA + ADP PRKCA + ATP → → → P-PRKCA + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
AKT + ATP → → → P-AKT + ADP AKT + ATP → → → P-AKT + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
HIF1A + ATP → → → P-HIF1A + ADP HIF1A + ATP → → → P-HIF1A + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
PPARGC1 + ATP → →P-PPARGC1 + ADP PPARGC1 + ATP → P-PPARGC1 + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
EIF4EBP + ATP → → P-EIF4EBP + ADP EIF4EBP + ATP → →P-EIF4EBP + ADP
mTor complex II (E); Sirolimus (I) mTor complex II (E)
PPARG + ATP → → P-PPARG + ADP PPARG + ATP → → P-PPARG + ADP
LY294002 treatment CRC patient + LY294002 CRC patient
Molecular modeling Enzymes; LY294002 (I) Enzymes
PIP2 + ATP → → → PIP3 + ADP PIP2 + ATP → → → PIP3 + ADP
  1. For instance, the substance A and B participate in a reaction catalyzed by an enzyme and inhibitor to produce the products C and D: enzyme; inhibitor
  2. A + B → → → C + D
  3. where the mathematical implementation: [C] = [D] = [A] * [B] * [enzyme] * [iKd] / [inhibitor] * [eKd], eKd: enzymatic dissociation constant; iKd: inhibitor dissociation constant