Gas-phase structures and thermochemical properties of protonated 5-HMF isomers

Autor: Garzoli, S., Antonini, L., Troiani, A., Salvitti, C., Giacomello, P., Patsilinakos, A., Ragno, R., Pepi, F.

Publikováno v: In International Journal of Mass Spectrometry January 2020 447

(Heteroarylmethyl)benzoic Acids as a New Class of Bacterial Cystathionine γ-Lyase Inhibitors: Synthesis, Biological Evaluation, and Molecular Modeling.

Autor: Golovina A; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Proia E; Rome Center for Molecular Design, Department of Drug Chemistry and Technologies, Sapienza University of Rome, P. le A. Moro 5 , Rome 00185, Italy., Fiorentino F; Department of Drug Chemistry and Technologies, Sapienza University of Rome, P. le A. Moro 5, Rome 00185, Italy., Yunin M; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Kasatkina M; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Zigangirova N; National Research Centre of Epidemiology and Microbiology named after N. F. Gamaleya, Russian Health Ministry, Gamaleya St.18 , 123098 Moscow, Russia., Soloveva A; National Research Centre of Epidemiology and Microbiology named after N. F. Gamaleya, Russian Health Ministry, Gamaleya St.18 , 123098 Moscow, Russia., Sysolyatina E; National Research Centre of Epidemiology and Microbiology named after N. F. Gamaleya, Russian Health Ministry, Gamaleya St.18 , 123098 Moscow, Russia., Ermolaeva S; National Research Centre of Epidemiology and Microbiology named after N. F. Gamaleya, Russian Health Ministry, Gamaleya St.18 , 123098 Moscow, Russia., Novikov R; Engelhardt Institute of Molecular Biology of the Russian Academy of Sciences, 32 Vavilov St. , Moscow 119991, Russia., Silonov S; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia.; Laboratory of Structural Dynamics, Stability and Folding of Proteins, Institute of Cytology, Russian Academy of Sciences, 4 Tikhoretsky Avenue , St. Petersburg 194064, Russia., Pushkin S; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Mladenović M; Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12 , Kragujevac 34000, P.O. Box 60, Serbia., Isakova J; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Belik A; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Nawrozkij M; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia., Rotili D; Department of Drug Chemistry and Technologies, Sapienza University of Rome, P. le A. Moro 5, Rome 00185, Italy., Ragno R; Rome Center for Molecular Design, Department of Drug Chemistry and Technologies, Sapienza University of Rome, P. le A. Moro 5 , Rome 00185, Italy., Ivanov R; Sirius University of Science and Technology, Olympic Avenue, 1, Sirius , Krasnodar Region 354340, Russia.

Publikováno v: ACS infectious diseases [ACS Infect Dis] 2024 Jun 14; Vol. 10 (6), pp. 2127-2150. Date of Electronic Publication: 2024 May 21.

Screening of the activity of sixty essential oils against plasmodium early mosquito stages in vitro and machine learning analysis reveals new putative inhibitors of malaria parasites.

Autor: Deligianni E; Institute of Molecular Biology and Biotechnology, Foundation for Research and Technology - Hellas, Heraklion, Greece., Pizzi E; Servizio Grandi Strumentazioni e Core Facilities, Istituto Superiore di Sanità, Rome, Italy., Kavelaki I; Institute of Molecular Biology and Biotechnology, Foundation for Research and Technology - Hellas, Heraklion, Greece., Siden-Kiamos I; Institute of Molecular Biology and Biotechnology, Foundation for Research and Technology - Hellas, Heraklion, Greece., Sapienza FU; Rome Center for Molecular Design-RCMD, Department of Drug Chemistry and Technology, University Sapienza of Rome, Italy., Fioravanti R; Department of Drug Chemistry and Technology, University Sapienza of Rome, Rome, Italy., Garzoli S; Department of Drug Chemistry and Technology, University Sapienza of Rome, Rome, Italy., Pace T; Dipartimento di Malattie Infettive, Istituto Superiore di Sanità, Rome, Italy., Ponzi M; Dipartimento di Malattie Infettive, Istituto Superiore di Sanità, Rome, Italy., Ragno R; Department of Drug Chemistry and Technology, University Sapienza of Rome, Rome, Italy. Electronic address: rino.ragno@uniroma1.it., Currà C; Institute of Molecular Biology and Biotechnology, Foundation for Research and Technology - Hellas, Heraklion, Greece. Electronic address: curra@imbb.forth.gr.

Publikováno v: International journal for parasitology. Drugs and drug resistance [Int J Parasitol Drugs Drug Resist] 2023 Dec; Vol. 23, pp. 87-93. Date of Electronic Publication: 2023 Nov 21.

Chemical Composition and Anti- Candida Activity of Mentha suaveolens Ehrh. Essential Oils Obtained by Different Distillation Processes.

Autor: Tadić V; Institute of Medicinal Plants Research Dr. Josif Pančić, Tadeuša Koščuška 1, 11000 Belgrade, Serbia., Božović M; Faculty of Natural Science and Mathematics, University of Montenegro, Džordža Vašingtona bb, 81000 Podgorica, Montenegro., Sapienza F; Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185 Rome, Italy., Astolfi R; Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185 Rome, Italy., Mladenović M; Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000 Kragujevac, Serbia., Zaka MC; Department of Drug Chemistry and Technology, Bachelor Course in Applied Pharmaceutical Sciences, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185 Rome, Italy., Del Bove F; Department of Drug Chemistry and Technology, Bachelor Course in Applied Pharmaceutical Sciences, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185 Rome, Italy., Borzacchi F; Garden Center '98.3 Piante Mediterranee', 01016 Tarquinia, Italy., Fraschetti C; Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185 Rome, Italy., Rossi C; Department of Life Sciences and Biotechnology, University of Ferrara, Via L. Borsari 46, 44121 Ferrara, Italy., Vertuani S; Department of Life Sciences and Biotechnology, University of Ferrara, Via L. Borsari 46, 44121 Ferrara, Italy., Baldisserotto A; Department of Life Sciences and Biotechnology, University of Ferrara, Via L. Borsari 46, 44121 Ferrara, Italy., Manfredini S; Department of Life Sciences and Biotechnology, University of Ferrara, Via L. Borsari 46, 44121 Ferrara, Italy., Ragno R; Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Sapienza University of Rome, Piazzale Aldo Moro 5, 00185 Rome, Italy.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2023 Oct 04; Vol. 28 (19). Date of Electronic Publication: 2023 Oct 04.

Molecular Docking Assessment of Cathinones as 5-HT 2A R Ligands: Developing of Predictive Structure-Based Bioactive Conformations and Three-Dimensional Structure-Activity Relationships Models for Future Recognition of Abuse Drugs.

Autor: Tomašević N; Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, P.O. Box 60, 34000 Kragujevac, Serbia., Vujović M; Department of Pharmacy, Faculty of Medicine, University of Niš, Bulevar Dr. Zorana Đinđića 81, 18000 Niš, Serbia., Kostić E; Department of Pharmacy, Faculty of Medicine, University of Niš, Bulevar Dr. Zorana Đinđića 81, 18000 Niš, Serbia., Ragavendran V; Department of Physics, Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya, Kanchipuram 631561, Tamil Nadu, India., Arsić B; Faculty of Sciences and Mathematics, University of Niš, Višegradska 33, 18000 Niš, Serbia., Matić SL; Department of Science, Institute for Informational Technologies, University of Kragujevac, Jovana Cvijića bb, 34000 Kragujevac, Serbia., Božović M; Faculty of Science and Mathematics, University of Montenegro, Džordža Vašingtona bb, 81000 Podgorica, Montenegro., Fioravanti R; Department of Drug Chemistry and Technology, Faculty of Pharmacy and Medicine, Rome Sapienza University, P.le A. Moro 5, 00185 Rome, Italy., Proia E; Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Faculty of Pharmacy and Medicine, Rome Sapienza University, P.le A. Moro 5, 00185 Rome, Italy., Ragno R; Rome Center for Molecular Design, Department of Drug Chemistry and Technology, Faculty of Pharmacy and Medicine, Rome Sapienza University, P.le A. Moro 5, 00185 Rome, Italy., Mladenović M; Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, P.O. Box 60, 34000 Kragujevac, Serbia.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2023 Aug 24; Vol. 28 (17). Date of Electronic Publication: 2023 Aug 24.