Rao Neha Govind, Pathania Anu Radha, Kour Harman Deep, Ballal Suhas, Singh Abhayveer, Bhowmik Abhijit, Zeru Balewgize Amare
Department of Chemistry, University Institute of Sciences, Chandigarh University, Gharuan, Mohali, 140413, Punjab, India.
Department of Chemistry and Biochemistry, School of Sciences, JAIN (Deemed to be University), Bangalore, Karnataka, India.
Sci Rep. 2025 Aug 27;15(1):31524. doi: 10.1038/s41598-025-00929-z.
Timolol maleate (TM), a beta-blocker drug, is used in treating conditions related to arterial hypertension. Exploring the possible interaction between TM and plasma proteins is crucial for enhancing the drug potency. This interaction study is done to examine the impact of TM on the comportment of bovine plasma Fibrinogen (FB) by utilizing spectroscopic and computational techniques such as fluorescence spectroscopy, circular dichroism (CD), and molecular docking. Employing fluorescence spectroscopy at temperatures 290 K, 298 K, and 308 K disclosed that TM used hydrophobic interactions to quench the intrinsic fluorescence of FB and show a hypochromic shift. The values of the binding and quenching rate constant specify the strong interaction between the TM and FB. The thermodynamic parameters such as ΔH and ΔG unveil the existence of hydrophobic forces. The CD demonstrates the influence of TM on the secondary structure of FB. Molecular docking revealed the theoretical evaluation of FB and TM binding. The investigation provides insightful information on stability, pharmacokinetics and bioavailability of TM, which is crucial for maximizing its therapeutic value.
马来酸噻吗洛尔（TM）是一种β受体阻滞剂药物，用于治疗与动脉高血压相关的病症。探索TM与血浆蛋白之间可能的相互作用对于提高药物效力至关重要。通过利用荧光光谱、圆二色性（CD）和分子对接等光谱学和计算技术，开展了这项相互作用研究，以检验TM对牛血浆纤维蛋白原（FB）行为的影响。在290 K、298 K和308 K温度下采用荧光光谱法表明，TM利用疏水相互作用淬灭FB的固有荧光并呈现减色位移。结合和淬灭速率常数的值表明TM与FB之间存在强相互作用。诸如ΔH和ΔG等热力学参数揭示了疏水力的存在。CD证明了TM对FB二级结构的影响。分子对接揭示了FB与TM结合的理论评估。该研究提供了有关TM稳定性、药代动力学和生物利用度的深刻见解信息，这对于最大化其治疗价值至关重要。
