Location: BG_LRGbinding_M2 @ 88369d2f746a / parameter_finder / kinetic_parameters_LRGbinding_M2.py

Author:
Shelley Fong <s.fong@auckland.ac.nz>
Date:
2021-11-26 14:26:35+13:00
Desc:
Updating Knames
Permanent Source URI:
https://models.cellml.org/workspace/707/rawfile/88369d2f746a0234b3ff860cfe8cca2efe643f28/parameter_finder/kinetic_parameters_LRGbinding_M2.py

# LRGbinding module - for muscarinic receptor as GPCR
# Based on Iancu 2007

#     return (k_kinetic, N_cT, K_C, W) kinetic parameters, constraints, and vector of volumes in each
# compartment (pL) (1 if gating variable, or in element corresponding to
# kappa)

import numpy as np 

def kinetic_parameters(M, include_type2_reactions, dims, V):
    # Set the kinetic rate constants.
    # original model had reactions that omitted enzymes as substrates e.g. BARK
    # convert unit from 1/s to 1/uM.s by dividing by conc of enzyme
    # all reactions were irreversible, made reversible by letting kr ~= 0
    
    num_cols = dims['num_cols']
    num_rows = dims['num_rows']

    # concentration of BARK = 0.6uM (crude approx from litsearch, for GRK)
    bigNum = 1e6
    fastKineticConstant = bigNum
    
    KRc = 30    # uM  Kc
    KRh = 0.16  # uM  Kh
    KRL = 11    # uM  Kl
    KRr = KRL/(KRc*KRh)
    kRcp = fastKineticConstant
    kRcm = kRcp*KRc
    # kRhp = fastKineticConstant
    # kRhm = kRhp*KRh
    kRLp = fastKineticConstant
    kRLm = kRLp*KRL
    kRrp = fastKineticConstant
    # find kRLm using detailed balance
    # kRrm = kRcm*kRhm*kRrp*kRLp/(kRcp*kRhp*kRLm)
    kRrm = kRrp * KRr

    k_kinetic = [
        kRcp, kRrp, kRLp,
        kRcm, kRrm, kRLm
        ]

    # CONSTRAINTS
    N_cT = []
    K_C = []

    # volume vector
    W = list(np.append([1] * num_cols, [V['V_myo']] * num_rows))

    return (k_kinetic, [N_cT], K_C, W)