Interaction of Pioglitazone Hydrochloride to Pepsin and Its Effect on Drug Efficiency and Digestive Ability of Stomach

WANG Chun-dan; LIU Bao-sheng; BIAN Gang; MA Li-hua; ZHANG Hong-cai; CHENG Xu

doi:10.3788/fgxb20194007.0922

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Interaction of Pioglitazone Hydrochloride to Pepsin and Its Effect on Drug Efficiency and Digestive Ability of Stomach

Luminescence Applications and Interdisciplinary Fields | 更新时间：2020-08-12

- Interaction of Pioglitazone Hydrochloride to Pepsin and Its Effect on Drug Efficiency and Digestive Ability of Stomach
- Chinese Journal of Luminescence Vol. 40, Issue 7, Pages: 922-929(2019)
- 作者机构：
  
  河北省分析科学技术重点实验室, 国家级化学实验教学示范中心(河北大学), 药物化学与分子诊断教育部重点实验室,河北保定,071002
- 作者简介：
- 基金信息：
  
  Supported by National Natural Science Foundation of China(21375032)
- DOI：10.3788/fgxb20194007.0922
  CLC： O657.3
- Received：09 July 2018，
  
  Revised：26 October 2018，
  
  Published Online：31 October 2018，
  
  Published：05 July 2019
- 稿件说明：
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王春丹, 刘保生, 边刚等. 盐酸吡格列酮与胃蛋白酶之间的相互作用及对药效、胃部消化能力的影响[J]. 发光学报, 2019,40(7): 922-929

WANG Chun-dan, LIU Bao-sheng, BIAN Gang etc. Interaction of Pioglitazone Hydrochloride to Pepsin and Its Effect on Drug Efficiency and Digestive Ability of Stomach[J]. Chinese Journal of Luminescence, 2019,40(7): 922-929
王春丹, 刘保生, 边刚等. 盐酸吡格列酮与胃蛋白酶之间的相互作用及对药效、胃部消化能力的影响[J]. 发光学报, 2019,40(7): 922-929 DOI： 10.3788/fgxb20194007.0922.

WANG Chun-dan, LIU Bao-sheng, BIAN Gang etc. Interaction of Pioglitazone Hydrochloride to Pepsin and Its Effect on Drug Efficiency and Digestive Ability of Stomach[J]. Chinese Journal of Luminescence, 2019,40(7): 922-929 DOI： 10.3788/fgxb20194007.0922.

摘要

为了研究药物与胃蛋白酶（PEP）相互作用后对药效及胃部消化能力的影响，在模拟生理条件下，建立了光谱测定。本文通过荧光法、同步荧光法和分子对接模拟技术研究了在298，310，318 K时盐酸吡格列酮（PGH）和PEP之间的相互作用机理。结果表明，PGH与PEP之间通过静电引力及氢键作用以静态猝灭的方式形成了1:1的稳定复合物；PEP的酪氨酸残基（Tyr）和色氨酸残基（Trp）均参与了反应；PGH-PEP的结合对后继配体存在正协同作用。通过估算得知:当患者服用PGH 15~45 mg时，胃液中的药物结合率为0.0013%~0.0032%，数值很小，即PGH与PEP的结合对PGH药效几乎没有影响；PEP的结合率为69.76%~87.37%，即服用PGH使得游离的PEP减少69.76%~87.37%，表明服用PGH将使患者的消化功能受到影响。分子对接技术表明PGH与PEP的最佳结合位点位于PEP的催化活性中心处，且两者的结合作用改变了PEP催化活性中心处氨基酸残基的微环境。

Abstract

In order to study the effect of the interaction between drugs and pepsin(PEP) on the pharmacodynamics and digestive ability of stomach

the spectral determination was established under simulated physiological conditions. At 298

310 and 318 K

the interaction mechanism between pioglitazone hydrochloride(PGH) and PEP was studied by fluorescence

synchronous fluorescence and molecular docking simulation. The results showed that a stable 1:1 complex was formed between PGH and PEP by electrostatic force and hydrogen bonding in a static quenching manner. Tyrosine residues(Tyr) and tryptophan residues(Trp) in PEP were involved in the reaction. The binding of PGH-PEP had positive cooperativity effect on the subsequent ligands. The results showed that when patients took PGH 15-45 mg

the drug binding rate in gastric juice was 0.0013%-0.0032%

which was very small

that is

the combination of PGH and PEP had little effect on PGH. The binding rate of PEP was 69.76%-87.37%

that is

PGH reduced the free PEP by 69.76%-87.37%

indicating that PGH would affect the digestive function of the patients. Molecular docking technique showed that the best binding site between PGH and PEP was located at the catalytic active site of PEP

and the interaction between them changed the microenvironment of amino acid residues in PEP catalytic active center.

关键词

Keywords

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