Development and experimental validation of a machine learning model for the prediction of new antimalarials by Mukul Kore, Dimple Acharya, Lakshya Sharma, Shruthi Sridhar Vembar, Sandeep Sundriyal

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Matched pairs demonstrate robustness against inter-assay variability by Jochem Nelen, Horacio Pérez-Sánchez, Hans De Winter, Dries Van Rompaey

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Structural basis of Spliced Leader RNA recognition by the Trypanosoma brucei cap-binding complex by Harald Bernhard, Hana Petržílková, Barbora Popelářová, Kamil Ziemkiewicz, Karolina Bartosik, Marcin Warmiński, Laura Tengo, Henri Gröger, Luciano G. Dolce, Cameron D. Mackereth, Ronald Micura, Jacek Jemielity, Eva Kowalinski

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Generation of a genetically encoded voltage indicator MARINA reporter human iPS cell line using Cas9 (VULSCi002-A-2) by Aistė Petruškevičiūtė, Ugnė Šimuliūnaitė, Catalina M. Polanco, Barbara Rojas, Simonas Kuras, Beatričė Valatkaitė-Rakštienė, Rimvydas Norvilas, Akshay Kumar Vijaya, Patricia Muñoz, Urtė Neniškytė, Artūras Jakubauskas, Aurelijus Burokas, Ivan Nalvarte, Jose Inzunza, Daniel Naumovas, Mindaugas Stoškus, Laimonas Griškevičius, Daiva Baltriukienė, Jonathan Arias

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Metabolic activities are selective modulators for individual segmentation clock processes by Mitsuhiro Matsuda, Jorge Lázaro, Miki Ebisuya

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Patient‐derived acellular ascites fluid affects drug responses in ovarian cancer cell lines through the activation of key signalling pathways by Katharina Bischof, Andrea Cremaschi, Lena Eroukhmanoff, Johannes Landskron, Lise‐Lotte Flage‐Larsen, Alexandra Gade, Line Bjørge, Alfonso Urbanucci, Kjetil Taskén

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ANALISIS LC-MS/MS SENYAWA METABOLITE EKSTRAK DAUN PUTAT (Planchonia valida) DAN PREDIKSI POTENSINYA SEBAGAI KANDIDAT OBAT ANTIKANKER by Tribuana Tungga Dewi, Anisa Bela, Satria Prabawa, Madyawati Latief, Indra Lasmana Tarigan

“…Metode yang digunakan yaitu menganalisis senyawa yang diperoleh dari hasil LC-MS, menskrining senyawa menggunakan website pChEMBL dan ChemSpiders. Dan menggunakan webserver pChEMBL untuk mengetahui bioaktifitas dari senyawa-senyawa tersebut. …”
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Structural insights into distinct mechanisms of RNA polymerase II and III recruitment to snRNA promoters by Syed Zawar Shah, Thomas N. Perry, Andrea Graziadei, Valentina Cecatiello, Thangavelu Kaliyappan, Agata D. Misiaszek, Christoph W. Müller, Ewan P. Ramsay, Alessandro Vannini

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Harnessing the Power of Machine Learning Guided Discovery of NLRP3 Inhibitors Towards the Effective Treatment of Rheumatoid Arthritis by Sidra Ilyas, Abdul Manan, Chanyoon Park, Hee-Geun Jo, Donghun Lee

“…Out of all docked compounds, the two most promising compounds (ChEMBL5289544 and ChEMBL5219789) with binding scores of −7.5 and −8.2 kcal/mol were further investigated by MD to evaluate their stability and dynamic behavior within the binding site. …”
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Alleviating batch effects in cell type deconvolution with SCCAF-D by Shuo Feng, Liangfeng Huang, Anna Vathrakokoili Pournara, Ziliang Huang, Xinlu Yang, Yongjian Zhang, Alvis Brazma, Ming Shi, Irene Papatheodorou, Zhichao Miao

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Long-range organization of intestinal 2D-crypts using exogenous Wnt3a micropatterning by Enara Larrañaga, Miquel Marin-Riera, Aina Abad-Lázaro, David Bartolomé-Català, Aitor Otero, Vanesa Fernández-Majada, Eduard Batlle, James Sharpe, Samuel Ojosnegros, Jordi Comelles, Elena Martinez

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L’enfant de Mezmaiskaya (Caucase) examiné dans une double perspective paléogénétique et paléoanthropologique by Véronique Barriel, Anne-Marie Tillier

“…The palaeogenetic interpretation is examined in the present article based on data available for modern humans (Anderson et al. 1981; HvrBase; http://www.hvrbase.de) and for three Middle Palaeolithic fossils from Germany (Feildhofer 1 and 2 ; Krings et al. 1997; Krings et al. 1999; Schmitz et al. 2002) and Croatia (Vindija-75-G3/h-203; Krings et al. 2000), which are attributed to the Neanderthal line and those of Pan paniscus and the four sub-species of Pan troglodytes (EMBL and GenBank). The question of the phylogenetic status of the Mezmaiskaya child is examined using both molecular analysis and anthropological arguments.…”
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Longitudinal omics data and preclinical treatment suggest the proteasome inhibitor carfilzomib as therapy for ibrutinib-resistant CLL by Lavinia Arseni, Gianluca Sigismondo, Haniyeh Yazdanparast, Johanne U. Hermansen, Norman Mack, Sibylle Ohl, Verena Kalter, Murat Iskar, Mathias Kalxdorf, Dennis Friedel, Mandy Rettel, Yashna Paul, Ingo Ringshausen, Eric Eldering, Julie Dubois, Arnon P. Kater, Marc Zapatka, Philipp M. Roessner, Eugen Tausch, Stephan Stilgenbauer, Sascha Dietrich, Mikhail M. Savitski, Sigrid S. Skånland, Jeroen Krijgsveld, Peter Lichter, Martina Seiffert

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Genome-Based Virus Taxonomy with the ICTV Database Extension by Shinduck Kang, Young-Chang Kim

“…This virus taxonomy web system was designed specifically to extend the virus taxonomy up to strain and isolation, which was then connected with the NCBI database to facilitate searches for specific viral genes; there are also links to journals provided by the EMBL RESTful API that improves accessibility for academic groups.…”
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PatCID: an open-access dataset of chemical structures in patent documents by Lucas Morin, Valéry Weber, Gerhard Ingmar Meijer, Fisher Yu, Peter W. J. Staar

“…On a random set, PatCID retrieves 56.0% of molecules, which is higher than automatically-created databases, Google Patents (41.5%) and SureChEMBL (23.5%), as well as manually-created databases, Reaxys (53.5%) and SciFinder (49.5%). …”
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Biotea-2-Bioschemas, facilitating structured markup for semantically annotated scholarly publications by Leyla Garcia, Olga Giraldo, Alexander Garcia, Dietrich Rebholz-Schuhmann

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De novo transcriptome assembly of the Mediterranean sea-rock pool mosquitoes Aedes mariae and Aedes zammitii by Valentina Mastrantonio, Daniele Porretta, Franco Liberati, Roberta Bisconti, Tiziana Castrignanò, Daniele Canestrelli

“…Homology alignments of predicted ORFs showed that 21,842 sequences from Ae. mariae and 21,944 sequences from Ae. zammitii mapped to the Nr, SwissProt, and TrEMBL databases, while 19,208 and 19,393 predicted ORFs, respectively, were functionally annotated using the COG and KEGG databases. …”
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Identification of Diagnostic Genes and Effective Drugs Associated with Osteoporosis Treatment by Single-Cell RNA-Seq Analysis and Network Pharmacology by Zhanyue Zhang, Tingbao Zhang, Liangshuang Zhou, Jianzhong Guan

“…Osteoporosis-related genes were obtained from chEMBL. Cell subpopulations were identified and characterized by scRNA-seq, t-SNE, clusterProfiler, and other computational methods. …”
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Characterization of Halorubrum sfaxense sp. nov., a New Halophilic Archaeon Isolated from the Solar Saltern of Sfax in Tunisia by Hana Trigui, Salma Masmoudi, Céline Brochier-Armanet, Sami Maalej, Sam Dukan

“…Therefore, strain ETD6 represents a novel species of the genus Halorubrum, for which the name Hrr. sfaxense sp. nov. is proposed. The Genbank EMBL-EBI accession number is GU724599.…”
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Identification of dequalinium as a potent inhibitor of human organic cation transporter 2 by machine learning based QSAR model by Fumihiro Yamane, Kenji Ikemura, Masayoshi Kondo, Manami Ueno, Masahiro Okuda

“…In the present study, we established a machine learning-based quantitative structure–activity relationship (QSAR) model for hOCT2 inhibitors based on the public ChEMBL database and explored novel hOCT2 inhibitors among the FDA-approved drugs. …”
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