{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,9]],"date-time":"2025-11-09T07:46:15Z","timestamp":1762674375904,"version":"build-2065373602"},"reference-count":28,"publisher":"MDPI AG","issue":"4","license":[{"start":{"date-parts":[[2020,4,17]],"date-time":"2020-04-17T00:00:00Z","timestamp":1587081600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"GEMNS project granted in the European Union\u2019s Seventh Framework Programme, undeERA-NET EuroNanoMed II (European Innovative Research and Technological Development Projects in Nanomedicine)","award":["GEMNS project"],"award-info":[{"award-number":["GEMNS project"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>Protein interaction with polymers layers is a keystone in designing bio-nano devices. Polyamidoamines (PAMAMs) are well-known polymers. Zero aromatic core dendrimers (ZAC) are molecules with no proven toxic effect in cultured cells. When coating nanodevices with enzymatic systems, active sites are disturbed by an interaction with the biosystem surface. Computational methods were used in order to simulate, characterize, and quantify protein\u2013polymer interaction. Protein corona, i.e., surface proteins disposed on a viral membrane or nanodevice outer surface, are crucial in interactions with a potential pharmacological target or receptor. Corona symmetry has been observed in the Middle East respiratory syndrome-related coronavirus (MERS-CoV), severe acute respiratory syndrome coronavirus (SARS-CoV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). As a protein alpha 1 antitrypsin\u2019s a crystallographic structure was chosen. Protein\u2013mono dendrimer layer systems were generated using in silico methods in order to simulate their interaction. Interactions were quantified using topological and quantum mechanical strategies. Results showed that PAMAM and ZAC interact differently with alpha 1 antitrypsin. Energy and topological surfaces of protein vary accordingly with the dendrimer monolayer. Topological surfaces have a higher sensibility in describing the interactions.<\/jats:p>","DOI":"10.3390\/sym12040641","type":"journal-article","created":{"date-parts":[[2020,4,21]],"date-time":"2020-04-21T05:48:52Z","timestamp":1587448132000},"page":"641","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Protein Interaction with Dendrimer Monolayers: Energy and Surface Topology"],"prefix":"10.3390","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5416-3142","authenticated-orcid":false,"given":"Claudiu N.","family":"Lungu","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, 400028 Cluj, Romania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Melinda E.","family":"F\u00fcst\u00f6s","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, 400028 Cluj, Romania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ireneusz P.","family":"Grudzi\u0144ski","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy, Medical University of Warsaw, 02-097 Warsaw, Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gabriel","family":"Olteanu","sequence":"additional","affiliation":[{"name":"Department of Surgery, Faculty of Medicine and Pharmacy, 400000 Cluj, Romania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9781-1541","authenticated-orcid":false,"given":"Mihai V.","family":"Putz","sequence":"additional","affiliation":[{"name":"Laboratory of Structural and Computational Physical-Chemistry for Nanosciences and QSAR, Biology-Chemistry Department, Faculty of Chemistry, Biology, Geography, West University of Timisoara, Str. Pestalozzi No. 16, 300115 Timisoara, Romania"},{"name":"Laboratory of Renewable Energies-Photovoltaics, R&amp;D National Institute for Electrochemistry and Condensed Matter (INCEMC-Timi\u0219oara), Dr. A. Paunescu Podeanu Str. No. 144, RO-300569 Timisoara, Romania"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2020,4,17]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1016\/j.addr.2009.03.009","article-title":"Nanoparticle interaction with plasma proteins as it relates to particle biodistribution, biocompatibility, and therapeutic efficacy","volume":"61","author":"Aggarwal","year":"2009","journal-title":"Adv. Drug Deliv. Rev."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"3137","DOI":"10.2147\/IJN.S129300","article-title":"Protein corona: A new approach for nanomedicine design","volume":"12","author":"Nguyen","year":"2017","journal-title":"Int. J. 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