{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,18]],"date-time":"2026-03-18T16:17:48Z","timestamp":1773850668956,"version":"3.50.1"},"reference-count":211,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2025,7,31]],"date-time":"2025-07-31T00:00:00Z","timestamp":1753920000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"FCT (Foundation for Science and Technology)","award":["UIDB\/04423\/2020"],"award-info":[{"award-number":["UIDB\/04423\/2020"]}]},{"name":"FCT (Foundation for Science and Technology)","award":["UIDP\/04423\/2020"],"award-info":[{"award-number":["UIDP\/04423\/2020"]}]},{"name":"Group of Marine Products and Medicinal Chemistry\u2014CIIMAR","award":["UIDB\/04423\/2020"],"award-info":[{"award-number":["UIDB\/04423\/2020"]}]},{"name":"Group of Marine Products and Medicinal Chemistry\u2014CIIMAR","award":["UIDP\/04423\/2020"],"award-info":[{"award-number":["UIDP\/04423\/2020"]}]},{"name":"project PTDC\/CTA-AMB\/0853\/2021","award":["UIDB\/04423\/2020"],"award-info":[{"award-number":["UIDB\/04423\/2020"]}]},{"name":"project PTDC\/CTA-AMB\/0853\/2021","award":["UIDP\/04423\/2020"],"award-info":[{"award-number":["UIDP\/04423\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Chiral liquid chromatography (cLC) using chiral stationary phases (CSPs) has become a crucial technique for separating enantiomers. Understanding enantiomeric discrimination is essential for improving chromatographic conditions and elucidating chiral molecular recognition; the computational methods are extremely helpful for this. To assess the relevance of the association of these two approaches and to analyze the current trends, in this review, a systematic analysis of the scientific literature was performed, covering recently published works (from 2015 to January 2025) on enantioseparation by cLC using CSPs and computational studies. CSPs based on polysaccharides and Pirkle-type were the most described (accounting for 52% and 14% of the studies, respectively). Regarding the computational methods, molecular docking and molecular dynamics (MD) were the most reported (accounting for 50% and 25% of the studies, respectively). In the articles surveyed, a significant growth in research concerning both cLC enantioseparation and computational studies is evident, emphasizing the benefit of the synergy between these two approaches.<\/jats:p>","DOI":"10.3390\/molecules30153218","type":"journal-article","created":{"date-parts":[[2025,8,4]],"date-time":"2025-08-04T13:11:11Z","timestamp":1754313071000},"page":"3218","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Unveiling the Power of Computational Tools in Chiral Liquid Chromatography"],"prefix":"10.3390","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5222-6077","authenticated-orcid":false,"given":"Rita","family":"Lima","sequence":"first","affiliation":[{"name":"Laborat\u00f3rio de Qu\u00edmica Org\u00e2nica e Farmac\u00eautica, Departamento de Ci\u00eancias Qu\u00edmicas, Faculdade de Farm\u00e1cia, Universidade do Porto, Rua Jorge Viterbo Ferreira, 228, 4050-313 Porto, Portugal"},{"name":"Centro Interdisciplinar de Investiga\u00e7\u00e3o Marinho e Ambiental (CIIMAR), Edif\u00edcio do Terminal de Cruzeiros do Porto de Leix\u00f5es, Av. General Norton de Matos, s\/n, 4050-208 Matosinhos, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2032-9308","authenticated-orcid":false,"given":"Rui P. P.","family":"Neves","sequence":"additional","affiliation":[{"name":"LAQV, REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, s\/n, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2748-4722","authenticated-orcid":false,"given":"Pedro A.","family":"Fernandes","sequence":"additional","affiliation":[{"name":"LAQV, REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, s\/n, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2861-8286","authenticated-orcid":false,"given":"Artur M. S.","family":"Silva","sequence":"additional","affiliation":[{"name":"LAQV, REQUIMTE, Departamento de Qu\u00edmica, Universidade de Aveiro, 3810-193 Aveiro, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0940-9163","authenticated-orcid":false,"given":"Carla","family":"Fernandes","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Qu\u00edmica Org\u00e2nica e Farmac\u00eautica, Departamento de Ci\u00eancias Qu\u00edmicas, Faculdade de Farm\u00e1cia, Universidade do Porto, Rua Jorge Viterbo Ferreira, 228, 4050-313 Porto, Portugal"},{"name":"Centro Interdisciplinar de Investiga\u00e7\u00e3o Marinho e Ambiental (CIIMAR), Edif\u00edcio do Terminal de Cruzeiros do Porto de Leix\u00f5es, Av. General Norton de Matos, s\/n, 4050-208 Matosinhos, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2025,7,31]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1016\/j.trac.2013.05.022","article-title":"Chiral separations in food analysis","volume":"52","author":"Rocco","year":"2013","journal-title":"TrAC Trends Anal. Chem."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"115761","DOI":"10.1016\/j.trac.2019.115761","article-title":"Chiral analysis in food science","volume":"123","author":"Bueno","year":"2020","journal-title":"TrAC Trends Anal. Chem."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"796","DOI":"10.2174\/0929867323666160907111107","article-title":"Laboratory-scale preparative enantioseparations of pharmaceutically relevant compounds on commercially available chiral stationary phases for HPLC","volume":"24","author":"Sardella","year":"2017","journal-title":"Curr. Med. 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