亲脂性是描述药物药代动力学行为的主要参数之一,包括它的吸收,分布,新陈代谢,消除,和毒性。在这项研究中,亲脂性和其他物理化学,药代动力学,提出了影响新合成的二烷基氨基烷基二喹噻嗪杂化物作为潜在候选药物的生物利用度的毒性特性。亲脂性,RM0是通过RP-TLC方法,使用RP18板和丙酮-TRIS缓冲液(pH7.4)作为流动相进行实验测定的。将亲脂性的色谱参数与通过各种类型的程序(例如iLOGP,XLOGP3,WLOGP,MLOGP,SILCOS-IT,LogP,logP,还有milogp.此外,选择的ADMET参数是使用SwissADME和pkCSM平台通过计算机模拟确定的,并与实验亲脂性描述符相关联.亲脂性研究的结果证实,所应用的算法可用于在所检查的候选药物研究的第一阶段快速预测logP值。在所有使用的算法中,iLogP与某些化合物的色谱值(RM0)最大的相似性。发现SwissADME和pkCSM网络工具都是描述所研究化合物的药代动力学特征的各种ADMET参数的良好来源,并且可以是在早期评估所检查的候选药物的快速且低成本的工具。开发过程。
Lipophilicity is one of the principal parameters that describe the pharmacokinetic behavior of a drug, including its absorption, distribution, metabolism, elimination, and toxicity. In this study, the lipophilicity and other physicochemical, pharmacokinetic, and toxicity properties that affect the bioavailability of newly synthesized dialkylaminoalkyldiquinothiazine hybrids as potential drug candidates are presented. The lipophilicity, as RM0, was determined experimentally by the RP-TLC method using RP18 plates and acetone-TRIS buffer (pH 7.4) as the mobile phase. The chromatographic parameters of lipophilicity were compared to computationally calculated partition coefficients obtained by various types of programs such as iLOGP, XLOGP3, WLOGP, MLOGP, SILCOS-IT, LogP, logP, and milogP. In addition, the selected ADMET parameters were determined in silico using the SwissADME and pkCSM platforms and correlated with the experimental lipophilicity descriptors. The results of the lipophilicity study confirm that the applied algorithms can be useful for the rapid prediction of logP values during the first stage of study of the examined drug candidates. Of all the algorithms used, the biggest similarity to the chromatographic value (RM0) for certain compounds was seen with iLogP. It was found that both the SwissADME and pkCSM web tools are good sources of a wide range of ADMET parameters that describe the pharmacokinetic profiles of the studied compounds and can be fast and low-cost tools in the evaluation of examined drug candidates during the early stages of the development process.