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A Patent Review on SARS Coronavirus Main Protease (3CLpro ) Inhibitors.

C S Brian Chia, Weijun Xu, Pearly Shuyi Ng,

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic is an unprecedented global health emergency causing more than 4.2 million fatalities as of 30 July 2021. Only three antiviral therapies have been approved or granted emergency use authorization by the FDA. The SARS-CoV-2 3CL protease (3CL<sup>pro</sup> ) is deemed an attractive ... Read more >>

ChemMedChem (ChemMedChem)
[2022, 17(1):e202100576]

Cited: 1 time

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Drug Repurposing for the SARS-CoV-2 Papain-Like Protease.

Chia-Chuan Cho, Shuhua G Li, Tyler J Lalonde, Kai S Yang, Ge Yu, Yuchen Qiao, Shiqing Xu, Wenshe Ray Liu,

As the pathogen of COVID-19, SARS-CoV-2 encodes two essential cysteine proteases that process the pathogen's two large polypeptide products pp1a and pp1ab in the human cell host to form 15 functionally important, mature nonstructural proteins. One of the two enzymes is papain-like protease or PL<sup>Pro</sup> . It possesses deubiquitination and ... Read more >>

ChemMedChem (ChemMedChem)
[2022, 17(1):e202100455]

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Exploration of Pyrazolo[1,5-a]pyrimidines as Membrane-Bound Pyrophosphatase Inhibitors.

Niklas G Johansson, Loïc Dreano, Keni Vidilaseris, Ayman Khattab, Jianing Liu, Arthur Lasbleiz, Orquidea Ribeiro, Alexandros Kiriazis, Gustav Boije Af Gennäs, Seppo Meri, Adrian Goldman, Jari Yli-Kauhaluoma, Henri Xhaard,

Inhibition of membrane-bound pyrophosphatase (mPPase) with small molecules offer a new approach in the fight against pathogenic protozoan parasites. mPPases are absent in humans, but essential for many protists as they couple pyrophosphate hydrolysis to the active transport of protons or sodium ions across acidocalcisomal membranes. So far, only few ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(21):3360-3367]

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Bithiazole Inhibitors of Phosphatidylinositol 4-Kinase (PI4KIIIβ) as Broad-Spectrum Antivirals Blocking the Replication of SARS-CoV-2, Zika Virus, and Human Rhinoviruses.

Maria Grazia Martina, Ilaria Vicenti, Lisa Bauer, Emmanuele Crespan, Enrico Rango, Adele Boccuto, Noemi Olivieri, Matteo Incerti, Marleen Zwaagstra, Marika Allodi, Simona Bertoni, Elena Dreassi, Maurizio Zazzi, Frank J M van Kuppeveld, Giovanni Maga, Marco Radi,

Over half a century since the description of the first antiviral drug, "old" re-emerging viruses and "new" emerging viruses still represent a serious threat to global health. Their high mutation rate and rapid selection of resistance toward common antiviral drugs, together with the increasing number of co-infections, make the war ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(23):3548-3552]

Cited: 1 time

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New Pyrazine Conjugates: Synthesis, Computational Studies, and Antiviral Properties against SARS-CoV-2.

Israa A Seliem, Adel S Girgis, Yassmin Moatasim, Ahmed Kandeil, Ahmed Mostafa, Mohamed A Ali, Mohamed S Bekheit, Siva S Panda,

Currently, limited therapeutic options are available for severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). We have developed a set of pyrazine-based small molecules. A series of pyrazine conjugates was synthesized by microwave-assisted click chemistry and benzotriazole chemistry. All the synthesized conjugates were screened against the SAR-CoV-2 virus and their cytotoxicity was ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(22):3418-3427]

Cited: 1 time

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Chalcone-Supported Cardiac Mesoderm Induction in Human Pluripotent Stem Cells for Heart Muscle Engineering.

Farah S Raad, Taukeer A Khan, Tilman U Esser, James E Hudson, Bhakti Irene Seth, Buntaro Fujita, Ravi Gandamala, Lutz F Tietze, Wolfram Zimmermann,

Human pluripotent stem cells (hPSCs) hold great promise for applications in cell therapy and drug screening in the cardiovascular field. Bone morphogenetic protein 4 (BMP4) is key for early cardiac mesoderm induction in hPSC and subsequent cardiomyocyte derivation. Small-molecular BMP4 mimetics may help to standardize cardiomyocyte derivation from hPSCs. Based ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(21):3300-3305]

Cited: 1 time

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Inhibitors of Human Divalent Metal Transporters DMT1 (SLC11A2) and ZIP8 (SLC39A8) from a GDB-17 Fragment Library.

Jonai Pujol-Giménez, Marion Poirier, Sven Bühlmann, Céline Schuppisser, Rajesh Bhardwaj, Mahendra Awale, Ricardo Visini, Sacha Javor, Matthias A Hediger, Jean-Louis Reymond,

Solute carrier proteins (SLCs) are membrane proteins controlling fluxes across biological membranes and represent an emerging class of drug targets. Here we searched for inhibitors of divalent metal transporters in a library of 1,676 commercially available 3D-shaped fragment-like molecules from the generated database GDB-17, which lists all possible organic molecules ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(21):3306-3314]

Cited: 1 time

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Stimulation of Ca2+ -ATPase Transport Activity by a Small-Molecule Drug.

Giacomo Sordi, Andrea Goti, Howard S Young, Ilaria Palchetti, Francesco Tadini-Buoninsegni,

The sarco(endo)plasmic reticulum Ca<sup>2+</sup> -ATPase (SERCA) hydrolyzes ATP to transport Ca<sup>2+</sup> from the cytoplasm to the sarcoplasmic reticulum (SR) lumen, thereby inducing muscle relaxation. Dysfunctional SERCA has been related to various diseases. The identification of small-molecule drugs that can activate SERCA may offer a therapeutic approach to treat pathologies connected ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(21):3293-3299]

Cited: 1 time

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An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.

Ludvik Olai Espeland, Charis Georgiou, Raphael Klein, Hemalatha Bhukya, Bengt Erik Haug, Jarl Underhaug, Prathama S Mainkar, Ruth Brenk,

FabF (3-oxoacyl-[acyl-carrier-protein] synthase 2), which catalyses the rate limiting condensation reaction in the fatty acid synthesis II pathway, is an attractive target for new antibiotics. Here, we focus on FabF from P. aeruginosa (PaFabF) as antibiotics against this pathogen are urgently needed. To facilitate exploration of this target we have set up an ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(17):2715-2726]

Cited: 1 time

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[2.2]Paracyclophane-Based TCN-201 Analogs as GluN2A-Selective NMDA Receptor Antagonists.

Remya Rajan, Dirk Schepmann, Ruben Steigerwald, Julian A Schreiber, Ehab El-Awaad, Joachim Jose, Guiscard Seebohm, Bernhard Wünsch,

Recent studies have shown the involvement of GluN2A subunit-containing NMDA receptors in various neurological and pathological disorders. In the X-ray crystal structure, TCN-201 (1) and analogous pyrazine derivatives 2 and 3 adopt a U-shape (hairpin) conformation within the binding site formed by the ligand binding domains of the GluN1 and ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(20):3201-3209]

Cited: 2 times

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An Organogold Compound as Potential Antimicrobial Agent against Drug-Resistant Bacteria: Initial Mechanistic Insights.

Parichita Chakraborty, Dorenda Oosterhuis, Riccardo Bonsignore, Angela Casini, Peter Olinga, Dirk-Jan Scheffers,

The rise of antimicrobial resistance has necessitated novel strategies to efficiently combat pathogenic bacteria. Metal-based compounds have been proven as a possible alternative to classical organic drugs. Here, we have assessed the antibacterial activity of seven gold complexes of different families. One compound, a cyclometalated Au(III) C^N complex, showed activity against ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(19):3060-3070]

Cited: 2 times

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Synthesis and Antimicrobial Evaluation of Bis-morpholine Triazine Quaternary Ammonium Salts.

Andrea Morandini, Benedetta Leonetti, Pietro Riello, Roberto Sole, Vanessa Gatto, Isabella Caligiuri, Flavio Rizzolio, Valentina Beghetto,

Efficient, environmentally and economically sustainable, and nontoxic antibacterial products are of global relevance in the fight against microorganism contamination. In this work, an easy and straightforward method for the synthesis of bis-morpholino triazine quaternary ammonium salts (bis-mTQAS) is reported, starting from 2,4,6-trichloro-1,3,5-triazine or 2,4-dichloro-6-methoxy-1,3,5-triazine and various N-alkylmorpholines. Bis-mTQAS were tested ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(20):3172-3176]

Cited: 1 time

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Bis(N-picolinamido)cobalt(II) Complexes Display Antifungal Activity toward Candida albicans and Aspergillus fumigatus.

Laura H D Ghandhi, Stefan Bidula, Christopher M Pask, Rianne M Lord, Patrick C McGowan,

This report highlights the synthesis and characterization of ten new bis(N-picolinamido)cobalt(II) complexes of the type [(L)<sub>2</sub> CoX<sub>2</sub> ]<sup>0/2+</sup> , whereby L=N-picolinamide ligand and X=diisothiocyanato (-NCS), dichlorido (-Cl) or diaqua (-OH<sub>2</sub> ) ligands. Single crystal X-ray (SC-XRD) analysis for nine of the structures are reported and confirm the picolinamide ligand is ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(20):3210-3221]

Cited: 1 time

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Fluorescent Amino Acid Initiated de novo Cyclic Peptides for the Label-Free Assessment of Cell Permeability*.

Yuteng Wu, M Teresa Bertran, James Rowley, Ewen D D Calder, Dhira Joshi, Louise J Walport,

The major obstacle in applying peptides to intracellular targets is their low inherent cell permeability. Standard approaches to attach a fluorophore (e. g. FITC, TAMRA) can change the physicochemical properties of the parent peptide and influence their ability to penetrate and localize in cells. We report a label-free strategy for evaluating ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(20):3185-3188]

Cited: 1 time

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Screening for New Inhibitors of Glycine Transporter 1 and 2 by Means of MS Binding Assays.

Thomas M Ackermann, Georg Höfner, Klaus T Wanner,

A straightforward screening of a compound library comprising 2439 substances for the identification of new inhibitors for the neurotransmitter transporters GlyT1 and GlyT2 is described. Screening and full-scale competition experiments were performed using recently developed GlyT1 and GlyT2 MS Binding Assays. That way for both targets, GlyT1 and GlyT2, ligands ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(19):3094-3104]

Cited: 1 time

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Discovery of GPR183 Agonists Based on an Antagonist Scaffold.

Viktoria M S Kjaer, Loukas Ieremias, Viktorija Daugvilaite, Michael Lückmann, Thomas M Frimurer, Trond Ulven, Mette M Rosenkilde, Jon Våbenø,

The G protein-coupled receptor GPR183/EBI2, which is activated by oxysterols, is a therapeutic target for inflammatory and metabolic diseases where both antagonists and agonists are of potential interest. Using the piperazine diamide core of the known GPR183 antagonist (E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one (NIBR189) as starting point, we identified and sourced 79 structurally related ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(17):2623-2627]

Cited: 1 time

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MPI8 is Potent against SARS-CoV-2 by Inhibiting Dually and Selectively the SARS-CoV-2 Main Protease and the Host Cathepsin L.

Xinyu R Ma, Yugendar R Alugubelli, Yuying Ma, Erol C Vatansever, Danielle A Scott, Yuchen Qiao, Ge Yu, Shiqing Xu, Wenshe Ray Liu,

A number of inhibitors have been developed for the SARS-CoV-2 main protease (M<sup>Pro</sup> ) as potential COVID-19 medications but little is known about their selectivity. Using enzymatic assays, we characterized inhibition of TMPRSS2, furin, and cathepsins B/K/L by more than a dozen of previously developed M<sup>Pro</sup> inhibitors including MPI1-9, GC376, ... Read more >>

ChemMedChem (ChemMedChem)
[2022, 17(1):e202100456]

Cited: 3 times

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Evaluation of 4-(4-Fluorobenzyl)piperazin-1-yl]-Based Compounds as Competitive Tyrosinase Inhibitors Endowed with Antimelanogenic Effects.

Salvatore Mirabile, Serena Vittorio, Maria Paola Germanò, Ilenia Adornato, Laura Ielo, Antonio Rapisarda, Rosaria Gitto, Francesca Pintus, Antonella Fais, Laura De Luca,

There is a considerable attention for the development of inhibitors of tyrosinase (TYR) as therapeutic strategy for the treatment of hyperpigmentation disorders in humans. Continuing in our efforts to identify TYR inhibitors, we describe the design, synthesis and pharmacophore exploration of new small molecules structurally characterized by the presence of ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(19):3083-3093]

Cited: 1 time

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Flexible Etherified and Esterified Triphenylethylene Derivatives and Their Evaluation on ER positive and Triple Negative Breast Cancer Cell Lines.

Aya S Hassan, Jannette Wober, Günter Vollmer, Ashraf H Abadi, Nermin Salah Ahmed Mostafa,

Tamoxifen (TAM) is a selective estrogen receptor modulator (SERM) with potential clinical benefits for all stages of breast cancer. TAM is majorly metabolized to more potent metabolites via polymorphic CYP2D6. This affects the clinical outcome of TAM treatment. Herein we report novel TAM analogues that can avoid metabolism via CYP2D6. ... Read more >>

ChemMedChem (ChemMedChem)
[2022, :]

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Interaction of a Jaundice Marker Molecule with Redox Modulatory Nano Hybrid: A Combined Electrochemical and Spectroscopic Study towards the Development of a Theranostics Tool.

Susmita Mondal, Nivedita Pan, Ria Ghosh, Arpan Bera, Dipanjan Mukherjee, Tuhin Kumar Maji, Anirudddha Adhikari, Sangeeta Ghosh, Chinmoy Bhattacharya, Samir Kumar Pal,

This study explores a combined electrochemical and spectroscopic approach to investigate the degradation of bilirubin, a molecular marker of jaundice in humans using a biocompatible nanohybrid (citrate-functionalized Mn 3 O 4 ; C-Mn 3 O 4 NH). The approach is aimed at the development of a facile theranostic tool for ... Read more >>

ChemMedChem (ChemMedChem)
[2022, :]

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One Key and Multiple Locks: Substrate Binding in Structures of Tryptophan Dioxygenases and Hydroxylases.

Andrea Mammoli, Alessandra Riccio, Elisa Bianconi, Alice Coletti, Emidio Camaioni, Antonio Macchiarulo,

Since its discovery at the beginning of the past century, the essential nutrient l-Tryptophan (l-Trp) and its catabolic pathways have acquired an increasing interest in an ever wider scientific community for their pivotal roles in underlying many important physiological functions and associated pathological conditions. As a consequence, enzymes catalyzing rate ... Read more >>

ChemMedChem (ChemMedChem)
[2021, 16(18):2732-2743]

Cited: 1 time

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1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-β-Lactamase Inhibitors.

Federica Verdirosa, Laurent Gavara, Laurent Sevaille, Giusy Tassone, Giuseppina Corsica, Alice Legru, Georges Feller, Giulia Chelini, Paola S Mercuri, Silvia Tanfoni, Filomena Sannio, Manuela Benvenuti, Giulia Cerboni, Filomena De Luca, Ezeddine Bouajila, Yen Vo Hoang, Patricia Licznar-Fajardo, Moreno Galleni, Cecilia Pozzi, Stefano Mangani, Jean-Denis Docquier, Jean-François Hernandez,

Metallo-β-lactamases (MBLs) are increasingly involved as a major mechanism of resistance to carbapenems in relevant opportunistic Gram-negative pathogens. Unfortunately, clinically efficient MBL inhibitors still represent an unmet medical need .  We previously reported several series of compounds based on the 1,2,4-triazole-3-thione scaffold. In particular, Schiff bases formed between diversely 5-substituted-4-amino ... Read more >>

ChemMedChem (ChemMedChem)
[2022, :]

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Novel Desorption Electrospray Ionization Mass Spectrometry Assay for Label-Free Characterization of SULT2B1b Enzyme Kinetics.

Samadhi C Kulathunga, Nicolás M Morato, Qing Zhou, R Graham Cooks, Andrew D Mesecar,

The sulfotransferase (SULT) 2B1b, which catalyzes the sulfonation of 3β-hydroxysteroids, has been identified as a potential target for prostate cancer treatment. However, a major limitation for SULT2B1b-targeted drug discovery is the lack of robust assays compatible with high-throughput screening and inconsistency in reported kinetic data. For this reason, we developed ... Read more >>

ChemMedChem (ChemMedChem)
[2022, :]

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Synthesis of aminoethyl substituted piperidine derivatives as σ1 receptor ligands with antiproliferative properties.

Bernhard Wünsch, Catharina Holtschulte, Frederik Börgel, Stefanie Westphälinger, Dirk Schepmann, Gianluca Civenni, Erik Laurini, Domenico Marson, Carlo V Catapano, Sabrina Pricl,

ChemMedChem (ChemMedChem)
[2022, :]

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Hexafluoroisopropyl carbamates as selective MAGL and dual MAGL/FAAH inhibitors: biochemical and physicochemical properties.

Maximilian Barth, Stefan Rudolph, Jan Kampschulze, Imke Meyer Zu Vilsendorf, Walburga Hanekamp, Dennis Mulac, Klaus Langer, Matthias Lehr,

A series of hexafluoroisopropyl carbamates with indolyl-alkyl- and azaindolylalkyl-substituents at the carbamate nitrogen was synthesized and evaluated for inhibition of the endocannabinoid degrading enzymes fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL). The synthesized derivatives with butyl to heptyl spacers between the heteroaryl and the carbamate moiety were inhibitors of ... Read more >>

ChemMedChem (ChemMedChem)
[2022, :]

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