Pathogenicity of new BEST1 variants identified in Italian patients with best vitelliform macular dystrophy assessed by computational structural biology

Autor: Vladimir Frecer, Giancarlo Iarossi, Anna Paola Salvetti, Paolo Enrico Maltese, Giulia Delledonne, Marta Oldani, Giovanni Staurenghi, Benedetto Falsini, Angelo Maria Minnella, Lucia Ziccardi, Adriano Magli, Leonardo Colombo, Fabiana D’Esposito, Jan Miertus, Francesco Viola, Marcella Attanasio, Emilia Maggio, Matteo Bertelli

Publikováno v: Journal of Translational Medicine, Vol 17, Iss 1, Pp 1-15 (2019)

Abstract Background Best vitelliform macular dystrophy (BVMD) is an autosomal dominant macular degeneration. The typical central yellowish yolk-like lesion usually appears in childhood and gradually worsens. Most cases are caused by variants in the B

Externí odkaz: https://doaj.org/article/b9eea62ce8b64120b262c67a06437420

Structure-Based Design and Pharmacophore-Based Virtual Screening of Combinatorial Library of Triclosan Analogues Active against Enoyl-Acyl Carrier Protein Reductase of Plasmodium falciparum with Favourable ADME Profiles

Autor: Cecile Bieri, Akori Esmel, Melalie Keita, Luc Calvin Owono Owono, Brice Dali, Eugene Megnassan, Stanislav Miertus, Vladimir Frecer

Publikováno v: International Journal of Molecular Sciences; Volume 24; Issue 8; Pages: 6916

Cost-effective therapy of neglected and tropical diseases such as malaria requires everlasting drug discovery efforts due to the rapidly emerging drug resistance of the plasmodium parasite. We have carried out computational design of new inhibitors o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a92130fdb70a9b87636fd891dcac4e37

Adhesion of fibroblast cells on thin films representing surfaces of polymeric scaffolds of human urethra rationalized by molecular models of integrin binding

Autor: Federica Chiellini, Gianni Pecorini, Vladimir Frecer, Stanislav Miertus, Simona Braccini, Dušan Bakoš

Publikováno v: Journal of Biotechnology. 324:233-238

This work combines experimental and computational study of Balb/3T3 clone A31 mouse embryo fibroblasts cell line adhesion and proliferation on fourteen different polymeric surfaces prepared from poly(dioxanone) (PDO), poly(glycolic acid) (PGA), poly(

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::18307278fcd0f09b77ed215289b163bd
https://doi.org/10.1016/j.jbiotec.2020.11.001

Virtual design of novel Plasmodium falciparum cysteine protease falcipain-2 hybrid lactone–chalcone and isatin–chalcone inhibitors probing the S2 active site pocket

Autor: Melalie Keita, Raymond Kre N'Guessan, Stanislav Miertus, Vladimir Frecer, Koffi N'Guessan Placide Gabin Allangba, Eugene Megnassan

Publikováno v: Journal of Enzyme Inhibition and Medicinal Chemistry
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 34, Iss 1, Pp 547-561 (2019)

We report computer-aided design of new lactone–chalcone and isatin–chalcone (HLCIC) inhibitors of the falcipain-2 (PfFP-2). 3D models of 15 FP-2:HLCIC1-15 complexes with known observed activity (IC 50 exp) were prepared to establish a quantitativ

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f70ff909706f893b468b6a5dc987b1e7
http://europepmc.org/articles/PMC6352947

Antiviral agents against COVID-19: structure-based design of specific peptidomimetic inhibitors of SARS-CoV-2 main protease

Autor: Vladimir Frecer, Stanislav Miertus

Publikováno v: RSC Advances

Despite the intense development of vaccines and antiviral therapeutics, no specific treatment of coronavirus disease 2019 (COVID-19), caused by the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is currently available. Recently, X-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::afc52a9c1b180120046b572a128bbe32