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The in vitro effects of nine different calcium channel blockers on PON1 activity were evaluated. All drugs strongly decreased PON1 activity, and IC<jats:sub>50<\/jats:sub> levels were between 13.987 \u00b1 0.59 and 238.104 \u00b1 2.14\u00a0\u03bcM, <jats:italic>K<jats:sub>i<\/jats:sub><\/jats:italic> values between 8.58\u00a0\u00b1\u00a00.36 and 111\u00a0\u00b1\u00a01.27\u00a0\u03bcM. The drugs with the strongest inhibitory effect were nisoldipine with 13.987 \u00b1 0.59\u00a0\u03bcM and nicardipine with 20.158 \u00b1 0.43\u00a0\u03bcM. The mechanism of action for the inhibition of the enzyme by nisoldipine and nicardipine was investigated through molecular docking. The stability of enzyme\u2013ligand complexes obtained from the docking was explored through molecular dynamics simulation. The binding affinity of the ligands toward the enzyme was also investigated through MMPBSA (molecular mechanics Poisson\u2013Boltzmann surface area method). The computational analysis demonstrated these compounds could inhibit the enzyme. Nisoldipine had the strongest binding, and its complex was the most stable one. Furthermore, nicardipine was found to have the highest affinity toward the enzyme.<\/jats:p>","DOI":"10.1002\/bab.2467","type":"journal-article","created":{"date-parts":[[2023,4,18]],"date-time":"2023-04-18T18:54:35Z","timestamp":1681844075000},"page":"1707-1719","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Evaluation of in vitro effect, molecular docking, and molecular dynamics simulations of some dihydropyridine\u2010class calcium channel blockers on human serum paraoxonase 1 (hPON1) enzyme activity"],"prefix":"10.1002","volume":"70","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8548-9703","authenticated-orcid":false,"given":"Ba\u015fak","family":"G\u00f6k\u00e7e","sequence":"first","affiliation":[{"name":"Department of Biochemistry, Faculty of Pharmacy Suleyman Demirel University Isparta T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammed Tilahun","family":"Muhammed","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy Suleyman Demirel University Isparta T\u00fcrkiye"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2023,4,27]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2019.09.237"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.2174\/1871520620666200218110645"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tox.2012.07.011"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.atherosclerosis.2010.08.076"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1111\/jphp.13144"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/ddr.21667"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pharep.2019.02.012"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.gene.2015.04.088"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.11613\/BM.2011.020"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M107440200"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1172\/JCI67478"},{"issue":"11","key":"e_1_2_7_13_1","first-page":"1335","article-title":"Human serum paraoxonase (PON1) isozymes Q and R hydrolyze lactones and cyclic carbonate esters","volume":"28","author":"Billecke S","year":"2000","journal-title":"Drug Metab Dispos"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.freeradbiomed.2008.03.023"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.2174\/0929866526666190301115122"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1080\/13813455.2018.1470646"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb76"},{"issue":"1","key":"e_1_2_7_18_1","first-page":"100","article-title":"Purification of human serum paraoxonase\/arylesterase. 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