{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,21]],"date-time":"2026-04-21T10:29:42Z","timestamp":1776767382363,"version":"3.51.2"},"reference-count":41,"publisher":"The Royal Society","issue":"2","license":[{"start":{"date-parts":[[2025,2,1]],"date-time":"2025-02-01T00:00:00Z","timestamp":1738368000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2025,2,1]],"date-time":"2025-02-01T00:00:00Z","timestamp":1738368000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"RUDN Strategic Academic Leadership Program"}],"content-domain":{"domain":["royalsocietypublishing.org"],"crossmark-restriction":true},"short-container-title":["R. Soc. Open Sci."],"published-print":{"date-parts":[[2025,2]]},"abstract":"<jats:p>\n                    The molecular and crystal structures of six compounds containing sulfonamide moieties are described. It has been shown that the geometric parameters of the sulfonamide group depend little on the nature of the substituents. Their bond lengths and bond angles remain almost the same and are in good accordance with those known from the literature. In crystals, depending on the type of substituents the molecules exist in the form of either monomers or dimers joined by intermolecular hydrogen bonds involving sulfonamide fragments. Introduction of large substituents into the molecules changes the way of packing of the studied sulfonamides and decreases the number of intermolecular hydrogen bonds in the crystals. The value of this dihedral angle may affect the nature and strength of the intermolecular bonding of the species in crystals.\n                    <jats:italic>In silico<\/jats:italic>\n                    analyses predicted low toxicity and potential enzyme inhibition, along with antiprotozoal properties, suggesting these compounds as candidates against protozoan pathogens. Molecular docking confirmed inhibitory potential against trypanothione reductase, supporting antiprotozoal activity. Consequently, these compounds may serve as promising lead-like molecules for drug development targeting protozoan infections.\n                  <\/jats:p>","DOI":"10.1098\/rsos.241402","type":"journal-article","created":{"date-parts":[[2025,2,4]],"date-time":"2025-02-04T19:05:16Z","timestamp":1738695916000},"update-policy":"https:\/\/doi.org\/10.1098\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["Crystallographic and computational characterization and\n                    <i>in silico<\/i>\n                    target fishing of six aromatic and aliphatic sulfonamide derivatives"],"prefix":"10.1098","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2924-7387","authenticated-orcid":true,"given":"Anh Van","family":"Nguyen","sequence":"first","affiliation":[{"name":"Faculty of Food Science and Technology, Ho Chi Minh City University of Industry and Trade","place":["Ho Chi Minh City, Vietnam"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0510-1762","authenticated-orcid":true,"given":"Anh Thi Ngoc","family":"Vu","sequence":"additional","affiliation":[{"name":"Laboratory of Advanced Materials Chemistry, Institute for Advanced Study in Technology, Ton Duc Thang University","place":["Ho Chi Minh City, Vietnam"]},{"name":"Faculty of Applied Sciences, Ton Duc Thang University","place":["Ho Chi Minh City, Vietnam"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andrey N.","family":"Utenyshev","sequence":"additional","affiliation":[{"name":"Federal Research Center of Problem of Chemical Physics and Medicinal Chemistry RAS, Chernogolovka, Moscow Region 142432, Russia"},{"name":"Kosygin Russian State University (Technology Design, Art), Moscow 117997, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Valeriy","family":"Tkachev","sequence":"additional","affiliation":[{"name":"Federal Research Center of Problem of Chemical Physics and Medicinal Chemistry RAS, Chernogolovka, Moscow Region 142432, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nadezhda","family":"Polyanskaya","sequence":"additional","affiliation":[{"name":"Kosygin Russian State University (Technology Design, Art), Moscow 117997, Russia"},{"name":"Peoples\u2019 Friendship University of Russia (RUDN University), Moscow 117198, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dmitriy","family":"Shchevnikov","sequence":"additional","affiliation":[{"name":"Peoples\u2019 Friendship University of Russia (RUDN University), Moscow 117198, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Magrarita","family":"Vasil\u2019eva","sequence":"additional","affiliation":[{"name":"Kosygin Russian State University (Technology Design, Art), Moscow 117997, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hieu","family":"Tran-Trung","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Vinh University, 182 Le Duan, Vinh City, Nghean 43000, Vietnam"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xuan Ha","family":"Nguyen","sequence":"additional","affiliation":[{"name":"Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology (VAST)","place":["Hanoi, Vietnam"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Olga V.","family":"Kovalchukova","sequence":"additional","affiliation":[{"name":"Kosygin Russian State University (Technology Design, Art), Moscow 117997, Russia"},{"name":"Peoples\u2019 Friendship University of Russia (RUDN University), Moscow 117198, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"175","published-online":{"date-parts":[[2025,2,5]]},"reference":[{"key":"e_1_3_7_2_2","doi-asserted-by":"publisher","DOI":"10.1517\/13543776.10.11.1725"},{"key":"e_1_3_7_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm011131t"},{"key":"e_1_3_7_4_2","doi-asserted-by":"publisher","DOI":"10.2174\/0929867033457647"},{"key":"e_1_3_7_5_2","doi-asserted-by":"publisher","DOI":"10.1517\/13543776.10.5.575"},{"key":"e_1_3_7_6_2","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201200014"},{"key":"e_1_3_7_7_2","first-page":"134","article-title":"Studies on the determination of the physicochemical parameters of some commercially available sulfonamide drugs in Turkey","volume":"37","author":"Ucucu U","year":"1995","unstructured":"Ucucu U, Isikdag I, Dogu H. 1995 Studies on the determination of the physicochemical parameters of some commercially available sulfonamide drugs in Turkey. 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