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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