Search Results - "Salo, Outi"

Development of Aptamer-DNAzyme based metal-nucleic acid frameworks for gastric cancer therapy by Yan, Jiaqi, Bhadane, Rajendra, Ran, Meixin, Ma, Xiaodong, Li, Yuanqiang, Zheng, Dongdong, Salo-Ahen, Outi M. H., Zhang, Hongbo

“…The metal-nucleic acid nanocomposites, first termed metal-nucleic acid frameworks (MNFs) in this work, show extraordinary potential as functional…”
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Towards peptide vaccines against Zika virus: Immunoinformatics combined with molecular dynamics simulations to predict antigenic epitopes of Zika viral proteins by Usman Mirza, Muhammad, Rafique, Shazia, Ali, Amjad, Munir, Mobeen, Ikram, Nazia, Manan, Abdul, Salo-Ahen, Outi M. H., Idrees, Muhammad

“…The recent outbreak of Zika virus (ZIKV) infection in Brazil has developed to a global health concern due to its likely association with birth defects (primary…”
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Identification of HPr kinase/phosphorylase inhibitors: novel antimicrobials against resistant Enterococcus faecalis by Kumar, Sandeep, Bhadane, Rajendra, Shandilya, Shruti, Salo-Ahen, Outi M. H., Kapila, Suman

“…Enterococcus faecalis , a gram-positive bacterium, is among the most common nosocomial pathogens due to its limited susceptibility to antibiotics and its…”
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Design, Synthesis, in vitro and in silico Characterization of 2‐Quinolone‐L‐alaninate‐1,2,3‐triazoles as Antimicrobial Agents by Moussaoui, Oussama, Bhadane, Rajendra, Sghyar, Riham, Ilaš, Janez, El Hadrami, El Mestafa, Chakroune, Said, Salo‐Ahen, Outi M. H.

“…Due to the ever‐increasing antimicrobial resistance there is an urgent need to continuously design and develop novel antimicrobial agents. Inspired by the…”
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Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore‐based virtual screening approach by Mirza, Muhammad Usman, Saadabadi, Atefeh, Vanmeert, Michiel, Salo-Ahen, Outi M.H., Abdullah, Iskandar, Claes, Sandra, De Jonghe, Steven, Schols, Dominique, Ahmad, Sarfraz, Froeyen, Matheus

“…Chemokine receptors are key regulators of cell migration in terms of immunity and inflammation. Among these, CCR5 and CXCR4 play pivotal roles in cancer…”
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Computational approaches to identifying and characterizing protein binding sites for ligand design by Henrich, Stefan, Salo-Ahen, Outi M. H., Huang, Bingding, Rippmann, Friedrich F., Cruciani, Gabriele, Wade, Rebecca C.

“…Given the three‐dimensional structure of a protein, how can one find the sites where other molecules might bind to it? Do these sites have the properties…”
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Molecular Modeling in Drug Design by Wade, Rebecca C, Salo-Ahen, Outi M H

“…This Special Issue contains thirteen articles that provide a vivid snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent…”
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Antigenic Peptide Prediction From E6 and E7 Oncoproteins of HPV Types 16 and 18 for Therapeutic Vaccine Design Using Immunoinformatics and MD Simulation Analysis by Jabbar, Basit, Rafique, Shazia, Salo-Ahen, Outi M H, Ali, Amjad, Munir, Mobeen, Idrees, Muhammad, Mirza, Muhammad Usman, Vanmeert, Michiel, Shah, Syed Zawar, Jabbar, Iqra, Rana, Muhammad Adeel

“…Human papillomavirus (HPV) induced cervical cancer is the second most common cause of death, after breast cancer, in females. Three prophylactic vaccines by…”
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High-Throughput Dual Screening Method for Ras Activities and Inhibitors by Kopra, Kari, van Adrichem, Arjan J, Salo-Ahen, Outi M. H, Peltonen, Juha, Wennerberg, Krister, Härmä, Harri

“…Ras GTPases act as “molecular switches”, alternating between inactive GDP-bound and active GTP-bound conformation. Ras-oncogenes were discovered over three…”
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High-Throughput Molecular Dynamics-Based Alchemical Free Energy Calculations for Predicting the Binding Free Energy Change Associated with the Selected Omicron Mutations in the Spike Receptor-Binding Domain of SARS-CoV-2 by Bhadane, Rajendra, Salo-Ahen, Outi M H

“…The ongoing pandemic caused by SARS-CoV-2 has gone through various phases. Since the initial outbreak, the virus has mutated several times, with some lineages…”
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The discovery of Zika virus NS2B-NS3 inhibitors with antiviral activity via an integrated virtual screening approach by Mirza, Muhammad Usman, Alanko, Ida, Vanmeert, Michiel, Muzzarelli, Kendall M., Salo-Ahen, Outi M.H., Abdullah, Iskandar, Kovari, Iulia A., Claes, Sandra, De Jonghe, Steven, Schols, Dominique, Schinazi, Raymond F., Kovari, Ladislau C., Trant, John F., Ahmad, Sarfraz, Froeyen, Matheus

“…•Computer-aided structure-based approach was used to screen a diverse library of compounds against ZIKV NS2B-NS3 protease.•Among 26 selected compounds, 8…”
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Investigating the Effectiveness of Different Porous Nanoparticles as Drug Carriers for Retaining the Photostability of Pinosylvin Derivative by Howaili, Fadak, Saadabadi, Atefeh, Mäkilä, Ermei, Korotkova, Ekaterina, Eklund, Patrik C, Salo-Ahen, Outi M H, Rosenholm, Jessica M

“…Pinosylvin monomethyl ether (PsMME) is a natural compound known for its valuable bioactive properties, including antioxidant and anti-inflammatory effects…”
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Stilbenoid compounds inhibit NF-κB-mediated inflammatory responses in the Drosophila intestine by Aalto, Anna L., Saadabadi, Atefeh, Lindholm, Fanny, Kietz, Christa, Himmelroos, Emmy, Marimuthu, Parthiban, Salo-Ahen, Outi M. H., Eklund, Patrik, Meinander, Annika

“…IntroductionStilbenoid compounds have been described to have anti-inflammatory properties in animal models in vivo, and have been shown to inhibit Ca2+-influx…”
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Protein–protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase by Cardinale, Daniela, Guaitoli, Giambattista, Tondi, Donatella, Luciani, Rosaria, Henrich, Stefan, Salo-Ahen, Outi M. H, Ferrari, Stefania, Marverti, Gaetano, Guerrieri, Davide, Ligabue, Alessio, Frassineti, Chiara, Pozzi, Cecilia, Mangani, Stefano, Fessas, Dimitrios, Guerrini, Remo, Ponterini, Glauco, Wade, Rebecca C, Costi, M. Paola

“…Human thymidylate synthase is a homodimeric enzyme that plays a key role in DNA synthesis and is a target for several clinically important anticancer drugs…”
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Isolation and functional analysis of phage‐displayed antibody fragments targeting the staphylococcal superantigen‐like proteins by Alanko, Ida, Sandberg, Rebecca, Brockmann, Eeva‐Christine, Haas, Carla J. C., Strijp, Jos A. G., Lamminmäki, Urpo, Salo‐Ahen, Outi M. H.

“…Staphylococcus aureus produces numerous virulence factors that manipulate the immune system, helping the bacteria avoid phagocytosis. In this study, we are…”
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Multivalent Interactions of Human Primary Amine Oxidase with the V and C22 Domains of Sialic Acid-Binding Immunoglobulin-Like Lectin-9 Regulate Its Binding and Amine Oxidase Activity by Elovaara, Heli, Parkash, Vimal, Fair-Mäkelä, Ruth, Salo-Ahen, Outi M H, Guédez, Gabriela, Bligt-Lindén, Eva, Grönholm, Janne, Jalkanen, Sirpa, Salminen, Tiina A

“…Sialic acid-binding immunoglobulin-like lectin-9 (Siglec-9) on leukocyte surface is a counter-receptor for endothelial cell surface adhesin, human primary…”
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Interactions between polymeric nanoparticles and different buffers as investigated by zeta potential measurements and molecular dynamics simulations by Inam, Wali, Bhadane, Rajendra, Akpolat, Rukiye Nur, Taiseer, Rifahul Abrar, Filippov, Sergey K., Salo‐Ahen, Outi M. H., Rosenholm, Jessica M, Zhang, Hongbo

“…Zeta potential is an essential surface parameter in the characterization of nanoparticles, determined at the interface of loosely bound ions (diffuse layer) at…”
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NBCZone: Universal three-dimensional construction of eleven amino acids near the catalytic nucleophile and base in the superfamily of (chymo)trypsin-like serine fold proteases by Denesyuk, Alexander I., Johnson, Mark S., Salo-Ahen, Outi M.H., Uversky, Vladimir N., Denessiouk, Konstantin

“…(Chymo)trypsin-like serine fold proteases belong to the serine/cysteine proteases found in eukaryotes, prokaryotes, and viruses. Their catalytic activity is…”
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Dynamics of CYP51: implications for function and inhibitor design by Yu, Xiaofeng, Cojocaru, Vlad, Mustafa, Ghulam, Salo-Ahen, Outi M. H., Lepesheva, Galina I., Wade, Rebecca C.

“…Sterol 14α‐demethylase (cytochrome P450 family 51 (CYP51)) is an essential enzyme occurring in all biological kingdoms. In eukaryotes, it is located in the…”
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Molecular Dynamics Prediction Verified by Experimental Evaluation of the Solubility of Different Drugs in Poly(decalactone) for the Fabrication of Polymeric Nanoemulsions by Pyrhönen, Jasmin, Bansal, Kuldeep K., Bhadane, Rajendra, Wilén, Carl-Eric, Salo-Ahen, Outi M. H., Rosenholm, Jessica M.

“…Nanoemulsions are a rapidly growing drug delivery technology capable of increasing a drug's aqueous solubility and stability. A novel oil‐in‐water nanoemulsion…”
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