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Iodinated 4,4’‐bipyridines with antiproliferative activity against melanoma cell lines ChemMedChem (IF 3.4) Pub Date : 2024-03-16 Paola Peluso, Victor Mamane, Ylenia Spissu, Giuseppina Casu, Alessandro Dessì, Roberto Dallocchio, Barbara Sechi, Giuseppe Palmieri, Carla Rozzo
In the last decade, biological processes involving halogen bond (HaB) as a leading interaction attracted great interest. However, although bound iodine atoms are considered powerful HaB donors, few iodinated new drugs were reported so far. Recently, iodinated 4,4’‐bipyridines showed interesting properties as HaB donors in solution and in the solid state. In this paper, a study on the inhibition activity
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Discovery of Potent Isoindolinone Inhibitors That Target an Active Conformation of PARP1 Using DNA‐Encoded Libraries ChemMedChem (IF 3.4) Pub Date : 2024-03-14 Kelly A McCarthy, Douglas J Marcotte, Sangram Parelkar, Crystal L McKinnon, Lindsay E Trammell, Eric L Stangeland, Rachael R Jetson
Inhibition of poly (ADP‐ribose) polymerase‐1 (PARP1), a DNA repair enzyme, has proven to be a successful strategy for the treatment of various cancers. With the appropriate selection conditions and protein design, DNA‐encoded library (DEL) technology provides a powerful avenue to identify small molecules with the desired mechanism of action towards a target of interest. However, DNA‐binding proteins
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Medical Applications of Silver and Gold Nanoparticles and Core‐shell Nanostructures Based on Silver or Gold Core: Recent Progress and Innovations ChemMedChem (IF 3.4) Pub Date : 2024-03-13 Kowalska Agata, Adamska Elzbieta, Beata Grobelna
Nanoparticles (NPs) of noble metals such as silver (Ag NPs) or gold (Au NPs) draw the attention of scientists looking for new compounds to use in medical applications. Scientists have used metal NPs because of their easy preparation, biocompatibility, ability to influence the shape and size or modification, and surface functionalization. However, to fully use their capabilities, both the benefits and
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Targeted Redox Balancing through Pulmonary Nanomedicine Delivery Reverses Oxidative Stress Induced Lung Inflammation ChemMedChem (IF 3.4) Pub Date : 2024-03-09 Ria Ghosh, Monojit Das, Susmita Mondal, Amrita Banerjee, Lopamudra Roy, Anjan Kumar Das, Debasish Pal, Siddhartha Sankar Bhattacharya, Maitree Bhattacharyya, Samir Kumar Pal
Non‐invasive delivery of drugs is important for the reversal of respiratory diseases essentially by‐passing metabolic pathways and targeting large surface area of drug absorption. Here, we study the inhalation of a redox nano medicine namely citrate functionalized Mn3O4 (C‐Mn3O4) duly encapsulated in droplet evaporated aerosols for the balancing of oxidative stress generated by the exposure of Chromium
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Identification of Potential inhibitors of the SARS‐CoV‐2 NSP13 Helicase via Structure‐Based Ligand Design, Molecular Docking and Nonequilibrium Alchemical Simulations ChemMedChem (IF 3.4) Pub Date : 2024-03-08 Giorgio Di Paco, Marina Macchiagodena, Piero Procacci
We have assembled a computational pipeline based on virtual screening, docking techniques, and nonequilibrium molecular dynamics simulations, with the goal of identifying possible inhibitors of the SARS‐CoV‐2 NSP13 helicase, catalyzing by ATP hydrolysis the unwinding of double or single‐stranded RNA in the viral replication process inside the host cell. The druggable sites for broad‐spectrum inhibitors
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Spiro‐acridine Compound as a Pteridine Reductase 1 Inhibitor: in silico Target Fishing and in vitro Studies ChemMedChem (IF 3.4) Pub Date : 2024-03-06 Jéssika de Oliveira Viana, Marina Sena Mendes, Marcelo Santos Castilho, Ricardo Olímpio de Moura, Euzébio Guimarães Barbosa
Among the many neglected tropical diseases, Leishmaniasis ranks second in mortality rate and prevalence. In a previous study, acridine derivatives were synthesized and tested for their antileishmanial activity against L. chagasi. The most active compound identified in that study (1) showed a single digit EC50 value against the parasite (2.6 µM), but its macromolecular target remained unknown. Aiming
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Combinatorial libraries of bipodal binders of the insulin receptor ChemMedChem (IF 3.4) Pub Date : 2024-03-06 Irena Selicharova, Benjamin Fabre, María Soledad Garre Hernández, Marta Lubos, Jan Picha, Zdenek Voburka, Katarína Mitrová, Jiri Jiracek
The binding process of insulin to its transmembrane receptor entails a sophisticated interplay between two proteins, each possessing two binding sites. Given the difficulties associated with the use of insulin in the treatment of diabetes, despite its remarkable efficacy, there is interest in smaller and more stable compounds than the native hormone that would effectively activate the receptor. Our
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Copper and Copper Complexes in Tumor Therapy ChemMedChem (IF 3.4) Pub Date : 2024-03-06 Yingqiao Wang, Tingxi Tang, Yi Yuan, Nan Li, Xiaoqing Wang, Jian Guan
Copper (Cu), a crucial trace element in physiological processes, has garnered significant interest for its involvement in cancer progression and potential therapeutic applications. The regulation of cellular copper levels is essential for maintaining copper homeostasis, as imbalances can lead to toxicity and cell death. The development of drugs that target copper homeostasis has emerged as a promising
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Front Cover: Design Principles for Balancing Lipophilicity and Permeability in beyond Rule of 5 Space (ChemMedChem 5/2024) ChemMedChem (IF 3.4) Pub Date : 2024-03-02 Henrik Möbitz
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Design, synthesis, and biological evaluation of eukaryotic initiation factor 2B (eIF2B) activators ChemMedChem (IF 3.4) Pub Date : 2024-03-01 Yifeng Pei, Sentao Liu, Lixun Wang, Chao Chen, Mengqiu Hu, Yi Xue, Dezhong Guan, Lingfeng Xie, Hong Liao, Jinpei Zhou, Huibin Zhang
The eukaryotic initiation factor 2B (eIF2B) is a key regulator in protein‐regulated signaling pathways and is closely related to the function of the central nervous system. Modulating eIF2B could retard the process of neurodegenerative diseases, including Alzheimer's disease (AD), amyotrophic lateral sclerosis (ALS), and vanishing white matter disease (VWM) et al. Here, we designed and synthesized
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Chimeric Amphiphilic Disinfectants: Quaternary Ammonium/Quaternary Phosphonium Hybrid Structures ChemMedChem (IF 3.4) Pub Date : 2024-02-28 Moneya S. Leatherbury, Laura M. Thierer, Christian A. Sanchez, Germán G. Vargas-Cuebas, Ashley A. Petersen, Lauren E. Amoo, Elise L. Bezold, Keshyne C. Washington, M. Brody Mistrot, Michael J. Zdilla, William M. Wuest, Kevin P. C. Minbiole
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The amphipathic design in helical antimicrobial peptides ChemMedChem (IF 3.4) Pub Date : 2024-02-26 Hai Bui Thi Phuong, Hoa Doan Ngan, Binh Le Huy, Hoang Vu Dinh, Huy Luong Xuan
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Small Molecule-Drug Conjugates: Opportunities for the Development of Targeted Anticancer Drugs ChemMedChem (IF 3.4) Pub Date : 2024-02-23 Jingjing Zhang, Fanchun Hu, Omer Aras, Yichao Chai, Feifei An
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Inducing Targeted Protein Degradation: From Chemical Biology to Drug Discovery and Clinical Applications. Edited by Philipp Cromm ChemMedChem (IF 3.4) Pub Date : 2024-02-22 Kirsten McAulay
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Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors ChemMedChem (IF 3.4) Pub Date : 2024-02-22 Roman W. Lange, Konstantin Bloch, Miriam Ruth Heindl, Jan Wollenhaupt, Manfred S. Weiss, Hans Brandstetter, Gerhard Klebe, Franco H. Falcone, Eva Böttcher-Friebertshäuser, Sven O. Dahms, Torsten Steinmetzer
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Identification of ß‐Glucocerebrosidase Activators for Glucosylceramide hydrolysis ChemMedChem (IF 3.4) Pub Date : 2024-02-21 Monika‐Sarah E. D. Schulze, Diana Scholz, Eric Jnoff, Adrian Hall, Jonathan Melin, Zara A. Sands, Elizabeth Rodriguez, Veronique M. Andre
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Accelerating BRPF1b hit identification with BioPhysical and Active Learning Screening (BioPALS) ChemMedChem (IF 3.4) Pub Date : 2024-02-19 Sandeep Pal, Zandile Nare, Vincenzo A. Rao, Brian O. Smith, Ian Morrison, Edward A. Fitzgerald, Andrew Scott, Matilda J. Bingham, Thomas Pesnot
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Investigating the Combined Toxicity of Cu(II) and Carbon Monoxide (CO); Cellular CO Delivery Using a Cu(II) Flavonolato Complex ChemMedChem (IF 3.4) Pub Date : 2024-02-18 Stephen N. Anderson, C. Taylor Dederich, Josiah G. D. Elsberg, Abby D. Benninghoff, Lisa M. Berreau
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Front Cover: r-BRICS – A Revised BRICS Module That Breaks Ring Structures and Carbon Chains (ChemMedChem 4/2024) ChemMedChem (IF 3.4) Pub Date : 2024-02-16 Leili Zhang, Vasumitra Rao, Wendy Cornell
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Helical BODIPY Dyes as Heavy-Atom-Free Triplet Photosensitizers for Photodynamic Therapy of Cancer ChemMedChem (IF 3.4) Pub Date : 2024-02-15 Soumyaditya Mula, Mrunesh Koli
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Tailored Tetrasubstituted Imidazole Carrying the Benzenesulfonamide Fragments as Selective Human Carbonic Anhydrase IX/XII Inhibitors ChemMedChem (IF 3.4) Pub Date : 2024-02-15 Ehab S. Taher, Adel A. Marzouk, Walaa Hamada Abd-Allah, Simone Giovannuzzi, Tarek S. Ibrahim, Claudiu T. Supuran, Mohamed A. El Hamd, Mohammed Farrag El-Behairy
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Nano-Engineering Strategies for Tumor-Specific Therapy ChemMedChem (IF 3.4) Pub Date : 2024-02-14 Zijin Li, Hai-Yan Xie, Weidong Nie
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Compounds Consisting of Quinazoline, Ibuprofen, and Amino Acids with Cytotoxic and Anti-Inflammatory Effects ChemMedChem (IF 3.4) Pub Date : 2024-02-14 Luis Roberto Garduño-Villavicencio, Ulises Martínez-Ortega, Elizabeth Ortiz-Sánchez, José Manuel Tinajero-Rodríguez, Francisco Hernández-Luis
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Insights into the Overcoming EGFRDel19/T790M/C797S Mutation: A Perspective on the 2-aryl-4-aminothienopyrimidine Backbone ChemMedChem (IF 3.4) Pub Date : 2024-02-14 Xuan Zhang, Jie He, Shidi Xu, Li Fu, Pengwu Zheng, Shan Xu, Qingshan Pan, Wufu Zhu
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A Structure-Activity Relationship Study of Amino Acid Derivatives of Pterostilbene Analogues Toward Human Breast Cancer ChemMedChem (IF 3.4) Pub Date : 2024-02-12 Fabiana Cordella, Nicola Dragone, Rosarita D'Orsi, Concetta Saponaro, Daniele Vergara, Marco Lessi, Gaetano Angelici
Pterostilbene is the dimethylated analogue of Resveratrol, a compound with well-known biological activities, such as antioxidant, chemopreventive, anti-diabetic, anti-obesity, and cardioprotective. Despite many studies on the general effect of such polyphenolic molecules and their derivatives, a deep comprehension of their action and systematic structure-activity relationship studies are still rare
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Diversity Oriented Synthesis of Novel Xanthones Reveal Potent Doxorubicin-Inspired Analogs ChemMedChem (IF 3.4) Pub Date : 2024-02-13 Jonas W. Meringdal, Leon Bade, Gerd Bendas, Dirk Menche
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Neuroblastoma and its Targets Therapies: A Medicinal Chemistry Review ChemMedChem (IF 3.4) Pub Date : 2024-02-10 Amgad Gerges, Una Canning
Abstract: Neuroblastoma (NB) is a childhood malignant tumour belonging to a group of embryonic tumours originating from progenitor cells of the sympathoadrenal lineage. The heterogeneity of NB is reflected in the survival rates of those with low and intermediate risk diseases who have survival rates ranging from 85 to 90 %. However, for those identified with high-risk Stage 4 NB, the treatment options
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Challenges for the Discovery of Non-Covalent WRN Helicase Inhibitors ChemMedChem (IF 3.4) Pub Date : 2024-02-09 Alisa Heuser, Wassim Abdul Rahman, Elisabeth Bechter, Jutta Blank, Sylvia Buhr, Dirk Erdmann, Patrizia Fontana, Fanny Mermet-Meillon, Marco Meyerhofer, Ross Strang, Maxime Schrapp, Catherine Zimmermann, Marta Cortes-Cros, Henrik Möbitz, Jacques Hamon
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The Therapeutic Potential in Cancer of Terpyridine-Based Metal Complexes Featuring Group 11 Elements ChemMedChem (IF 3.4) Pub Date : 2024-02-08 María Gil-Moles, M. Concepción Gimeno
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Current Small Molecule–Based Medicinal Chemistry Approaches for Neurodegeneration Therapeutics ChemMedChem (IF 3.4) Pub Date : 2024-02-08 Nitesh Sanghai, Billy Vuong, Ahmet Burak Berk, Muhammad Shaharyar K. Afridi, Geoffrey K. Tranmer
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Hypoxia: Intriguing Feature in Cancer Cell Biology ChemMedChem (IF 3.4) Pub Date : 2024-02-08 Monalisa Chowdhury, Prasanta Kumar Das
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Gaucher Disease: A Glance from a Medicinal Chemistry Perspective ChemMedChem (IF 3.4) Pub Date : 2024-02-08 Filippo Prencipe, Chiara Barzan, Chiara Savian, Giampiero Spalluto, Emanuele Carosati, Marco De Amici, Giorgio Mosconi, Teresa Gianferrara, Stephanie Federico, Tatiana Da Ros
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Synthesis and in vitro Metabolic Stability of Sterically Shielded Antimycobacterial Phenylalanine Amides ChemMedChem (IF 3.4) Pub Date : 2024-02-08 Markus Lang, Uday S. Ganapathy, Lea Mann, Rüdiger W. Seidel, Richard Goddard, Frank Erdmann, Thomas Dick, Adrian Richter
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Tractable Quinolone Hydrazides Exhibiting Sub-Micromolar and Broad Spectrum Antitrypanosomal Activities ChemMedChem (IF 3.4) Pub Date : 2024-02-07 Kgothatso A. Chirwa, Karol R. Francisco, Phelelisiwe S. Dube, Hayoung Park, Lesetja J. Legoabe, Thaiz Rodrigues Teixeira, Conor R. Caffrey, Richard M. Beteck
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Effective Anticancer Potential of a New Sulfonamide as a Carbonic Anhydrase IX Inhibitor Against Aggressive Tumors ChemMedChem (IF 3.4) Pub Date : 2024-02-07 Ismail Koyuncu, Ebru Temiz, Eray Metin Güler, Mustafa Durgun, Ozgür Yuksekdag, Simone Giovannuzzi, Claudiu T. Supuran
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Targeting peptide based therapeutics: Integrated computational and experimental studies of autophagic regulation in host-parasite interaction ChemMedChem (IF 3.4) Pub Date : 2024-02-05 Vrushali Guhe, Shailza Singh
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Front Cover: Generation of Molecular Counterfactuals for Explainable Machine Learning Based on Core-Substituent Recombination (ChemMedChem 3/2024) ChemMedChem (IF 3.4) Pub Date : 2024-02-01 Alec Lamens, Jürgen Bajorath
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Pinpointing Acidic Residues in Proteins ChemMedChem (IF 3.4) Pub Date : 2024-02-02 Weimin Xuan, Jun-An Ma
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Antimicrobial peptide mimetic minimalistic approach leads to very short peptide amphiphiles-gold nanostructures for potent antibacterial activity ChemMedChem (IF 3.4) Pub Date : 2024-02-01 Narayan Swain, Shruti Sharma, Rahul Maitra, Deepanshi Saxena, Aanand Kautu, Ramesh Singh, Khushboo Kesharwani, Sidharth Chopra, Khashti Ballabh Joshi
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Small Molecule Antagonists of the DNA Repair ERCC1/XPA Protein-Protein Interaction ChemMedChem (IF 3.4) Pub Date : 2024-02-01 Robert Obermann, Bereket Yemane, Cassie Jarvis, Francisco M. Franco, Yevhenii Kyriukha, William Nolan, Beth Gohara, Andrzej M. Krezel, Scott A. Wildman, James W. Janetka
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Structural Development of Androgen Receptor Antagonists Using Phenylferrocene Framework as a Hydrophobic Pharmacophore ChemMedChem (IF 3.4) Pub Date : 2024-01-31 Kotaro Ochiai, Ryo Yonezawa, Shinya Fujii
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Late-Stage Diversification of Pyrazoles as Antileishmanial Agents ChemMedChem (IF 3.4) Pub Date : 2024-01-30 Tobias Winge, Ben Perry, An Matheeussen, Guy Caljon, Bernhard Wünsch
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Drug Discovery Summit: 14 th Swiss Course on Medicinal Chemistry ChemMedChem (IF 3.4) Pub Date : 2024-01-29 Céline Schuppisser, Kleni Mulliri
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Design, Synthesis, and Evaluation of An Anti-trypanosomal [1,2,4]Triazolo[1,5-a]pyrimidine Probe for Photoaffinity Labeling Studies ChemMedChem (IF 3.4) Pub Date : 2024-01-26 Bobby Lucero, Karol R. Francisco, Carmine Varricchio, Lawrence J. Liu, Yuemang Yao, Andrea Brancale, Kurt R. Brunden, Conor R. Caffrey, Carlo Ballatore
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Synthesis and Biological Evaluations of Novel Human Parathyroid Hormone 1 Receptor (hPTHR1) Agonists Bearing Bicyclic Aromatic Moiety ChemMedChem (IF 3.4) Pub Date : 2024-01-26 Yoshikazu Nishimura, Toru Esaki, Yoshiaki Isshiki, Yoshiyuki Furuta, Takashi Emura, Yoshiaki Watanabe, Masateru Ohta, Shinichi Arai, Hiroshi Noda, Masaru Shimizu, Tatsuya Tamura, Haruhiko Sato
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Nanomaterials-Based Targeting of Long Non-Coding RNAs in Cancer: A Cutting-Edge Review of Current Trends ChemMedChem (IF 3.4) Pub Date : 2024-01-24 Fatemeh Davodabadi, Bahareh Farasati Far, Saman Sargazi, Seyedeh Fatemeh Sajjadi, Sonia Fathi-karkan, Shekoufeh Mirinejad, Suresh Ghotekar, Sara Sargazi, Mohammed M. Rahman
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Key Insights on the Classification and Theranostic Applications of Magnetic Resonance Imaging Contrast Agents ChemMedChem (IF 3.4) Pub Date : 2024-01-21 Jasleen Kaur, Manasvini Sridharr
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Synthesis, characterization of novel N-(4-cyano-1,3-oxazol-5-yl)sulfonamide derivatives and in vitro screening their activity against NCI-60 cancer cell lines ChemMedChem (IF 3.4) Pub Date : 2024-01-19 Oleksandr Severin, Stepan Pilyo, Maryna Kachaeva, Victor Zhirnov, Diana Hodyna, Oksana Bahrieieva, Volodymyr Brovarets
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A ProTide of AZT Shows Activity Against Human Papillomaviruses ChemMedChem (IF 3.4) Pub Date : 2024-01-19 Tim Gniech, Adrian Humboldt, Kathy A. Keith, Scott H. James, Clemens Richert
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Towards multitargeted ligands as pain therapeutics: Dual ligands of the Cavα2δ-1 subunit of voltage-gated calcium channel and the μ-opioid receptor ChemMedChem (IF 3.4) Pub Date : 2024-01-17 Anita Wegert, Menno Monnee, Wouter de Graaf, Frank van Holst, Giovanni Bolcato, José Luis Díaz, Albert Dordal, Enrique Portillo-Salido, Raquel F. Reinoso, Sandra Yeste, Antoni Torrens, Carmen Almansa
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Front Cover: Optimization of Ketobenzothiazole-Based Type II Transmembrane Serine Protease Inhibitors to Block H1N1 Influenza Virus Replication (ChemMedChem 2/2024) ChemMedChem (IF 3.4) Pub Date : 2024-01-16 Éloïc Colombo, Antoine Désilets, Malihe Hassanzadeh, Gabriel Lemieux, Isabelle Marois, Dominic Cliche, Julien A. Delbrouck, Alexandre Murza, François Jean, Eric Marsault, Martin V. Richter, Richard Leduc, Pierre-Luc Boudreault
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RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines ChemMedChem (IF 3.4) Pub Date : 2024-01-18 Philipp Nievergelt, Florian Berliat, Katherine E. McAuley, Colin R. Dorgan, Renate Maria van Well, Andrea Thorn, Bernhard Spingler
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Rational design and virtual screening identify mimetics of the RXR agonist valerenic acid ChemMedChem (IF 3.4) Pub Date : 2024-01-18 Laura Isigkeit, Annette Kärcher, Gustave Adouvi, Silvia Arifi, Daniel Merk
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Drugging Protein Tyrosine Phosphatases through Targeted Protein Degradation ChemMedChem (IF 3.4) Pub Date : 2024-01-17 Jinmin Miao, Zhong-Yin Zhang
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Enantioselective recognition, synthesis, and separation of pharmaceutical compounds at chiral metallic surfaces ChemMedChem (IF 3.4) Pub Date : 2024-01-17 Banyong Suwankaisorn, Ponart Aroonratsameruang, Alexander Kuhn, Chularat Wattanakit
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Inhibition of polymorphic MexXY-OprM efflux system in Pseudomonas aeruginosa clinical isolates by Berberine derivatives ChemMedChem (IF 3.4) Pub Date : 2024-01-12 Giorgia Giorgini, Alessandra Di Gregorio, Gianmarco Mangiaterra, Nicholas Cedraro, Cristina Minnelli, Giulia Sabbatini, Giovanna Mobbili, Serena Simoni, Carla Vignaroli, Roberta Galeazzi
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Exploring the potency of diazo-coumarin containing hybrid molecules: Selective inhibition of tumor-associated carbonic anhydrase isoforms IX and XII ChemMedChem (IF 3.4) Pub Date : 2024-01-09 Gönül Yapar, Nebih Lolak, Alessandro Bonardi, Suleyman Akocak, Claudiu T. Supuran
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Front Cover: Stabilizing Pseudouridimycin: Synthesis, RNA Polymerase Inhibitory Activity, and Antibacterial Activity of Dipeptide-Modified Analogues (ChemMedChem 1/2024) ChemMedChem (IF 3.4) Pub Date : 2024-01-02 Avraz F. Anwar, Christopher F. Cain, Michael J. Garza, David Degen, Richard H. Ebright, Juan R. Del Valle
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Design, Synthesis and Biological Evaluation of Novel Anticancer Amidinourea Analogues via Unexpected 1,3,5-Triazin-2-one Ring Opening ChemMedChem (IF 3.4) Pub Date : 2023-12-21 Oleksandr Grytsai, Nedra Hamouda-Tekaya, Thomas Botton, Stéphane Rocchi, Rachid Benhida, Cyril Ronco
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Synthesis And Anticancer Activity Of New Hybrid 3-Methylidene-2,3-Dihydro-1,8-Naphthyridinones ChemMedChem (IF 3.4) Pub Date : 2023-12-21 Agata Jaskulska, Jacek Szymański, Piotr F. J. Lipiński, Jakub Modranka, Anna E. Janecka, Tomasz Janecki, Katarzyna Gach-Janczak