Search Results - "ChemMedChem"

A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules by Daina, Antoine, Zoete, Vincent

“…Apart from efficacy and toxicity, many drug development failures are imputable to poor pharmacokinetics and bioavailability. Gastrointestinal absorption and…”
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Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics by Ghosh, Arun K., Brindisi, Margherita, Shahabi, Dana, Chapman, Mackenzie E., Mesecar, Andrew D.

“…The COVID‐19 pandemic caused by SARS‐CoV‐2 infection is spreading at an alarming rate and has created an unprecedented health emergency around the globe. There…”
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Covalent Inhibition in Drug Discovery by Ghosh, Avick Kumar, Samanta, Indranil, Mondal, Anushree, Liu, Wenshe Ray

“…Although covalent inhibitors have been used as therapeutics for more than a century, there has been general resistance in the pharmaceutical industry against…”
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METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes by Moroz‐Omori, Elena V., Huang, Danzhi, Kumar Bedi, Rajiv, Cheriyamkunnel, Sherry J., Bochenkova, Elena, Dolbois, Aymeric, Rzeczkowski, Maciej D., Li, Yaozong, Wiedmer, Lars, Caflisch, Amedeo

“…The methylase METTL3 is the writer enzyme of the N6‐methyladenosine (m6A) modification of RNA. Using a structure‐based drug discovery approach, we identified a…”
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Cover Picture: A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules (ChemMedChem 11/2016) by Daina, Antoine, Zoete, Vincent

“…The front cover picture shows how a computer can predict gastrointestinal absorption and brain access for small molecules. The pills illustrate the main…”
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Cyclobutanes in Small‐Molecule Drug Candidates by Kolk, Marnix R., Janssen, Mathilde A. C. H., Rutjes, Floris P. J. T., Blanco‐Ania, Daniel

“…Cyclobutanes are increasingly used in medicinal chemistry in the search for relevant biological properties. Important characteristics of the cyclobutane ring…”
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Therapeutic Strategies To Counteract Antibiotic Resistance in MRSA Biofilm‐Associated Infections by Cascioferro, Stella, Carbone, Daniela, Parrino, Barbara, Pecoraro, Camilla, Giovannetti, Elisa, Cirrincione, Girolamo, Diana, Patrizia

“…Methicillin‐resistant Staphylococcus aureus (MRSA) has emerged as one of the leading causes of persistent human infections. This pathogen is widespread and is…”
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Small‐Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer by Bedi, Rajiv K., Huang, Danzhi, Eberle, Stefanie A., Wiedmer, Lars, Śledź, Pawel, Caflisch, Amedeo

“…The RNA methylase METTL3 catalyzes the transfer of a methyl group from the cofactor S‐adenosyl‐L‐methionine (SAM) to the N6 atom of adenine. We have screened a…”
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Antibody Conjugation of a Chimeric BET Degrader Enables in vivo Activity by Pillow, Thomas H., Adhikari, Pragya, Blake, Robert A., Chen, Jinhua, Del Rosario, Geoffrey, Deshmukh, Gauri, Figueroa, Isabel, Gascoigne, Karen E., Kamath, Amrita V., Kaufman, Susan, Kleinheinz, Tracy, Kozak, Katherine R., Latifi, Brandon, Leipold, Douglas D., Sing Li, Chun, Li, Ruina, Mulvihill, Melinda M., O'Donohue, Aimee, Rowntree, Rebecca K., Sadowsky, Jack D., Wai, John, Wang, Xinxin, Wu, Cong, Xu, Zijin, Yao, Hui, Yu, Shang‐Fan, Zhang, Donglu, Zang, Richard, Zhang, Hongyan, Zhou, Hao, Zhu, Xiaoyu, Dragovich, Peter S.

“…The ability to selectively degrade proteins with bifunctional small molecules has the potential to fundamentally alter therapy in a variety of diseases…”
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Antitumour Anthracyclines: Progress and Perspectives by Martins‐Teixeira, Maristela B., Carvalho, Ivone

“…Anthracyclines are ranked among the most effective chemotherapeutics against cancer. They are glycoside drugs comprising the amino sugar daunosamine linked to…”
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A Quick Route to Multiple Highly Potent SARS‐CoV‐2 Main Protease Inhibitors by Yang, Kai S., Ma, Xinyu R., Ma, Yuying, Alugubelli, Yugendar R., Scott, Danielle A., Vatansever, Erol C., Drelich, Aleksandra K., Sankaran, Banumathi, Geng, Zhi Z., Blankenship, Lauren R., Ward, Hannah E., Sheng, Yan J., Hsu, Jason C., Kratch, Kaci C., Zhao, Baoyu, Hayatshahi, Hamed S., Liu, Jin, Li, Pingwei, Fierke, Carol A., Tseng, Chien‐Te K., Xu, Shiqing, Liu, Wenshe Ray

“…The COVID‐19 pathogen, SARS‐CoV‐2, requires its main protease (SC2MPro) to digest two of its translated long polypeptides to form a number of mature proteins…”
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The Role of the Phosphorus Atom in Drug Design by Rodriguez, Juan B., Gallo‐Rodriguez, Carola

“…Although the phosphorus atom is found in a variety of oxidation states, most of the phosphorus‐containing molecules of pharmacological importance possess…”
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Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY-876 by Siebeneicher, Holger, Cleve, Arwed, Rehwinkel, Hartmut, Neuhaus, Roland, Heisler, Iring, Müller, Thomas, Bauser, Marcus, Buchmann, Bernd

“…Despite the long‐known fact that the facilitative glucose transporter GLUT1 is one of the key players safeguarding the increase in glucose consumption of many…”
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Benzofuran and Indole: Promising Scaffolds for Drug Development in Alzheimer's Disease by Goyal, Deepti, Kaur, Amandeep, Goyal, Bhupesh

“…Alzheimer's disease (AD) is a progressive neurodegenerative disease with no clinically accepted treatment to cure or halt its progression. The Food and Drug…”
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In Silico Prediction of Blood–Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods by Wang, Zhuang, Yang, Hongbin, Wu, Zengrui, Wang, Tianduanyi, Li, Weihua, Tang, Yun, Liu, Guixia

“…The blood–brain barrier (BBB) as a part of absorption protects the central nervous system by separating the brain tissue from the bloodstream. In recent years,…”
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Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review by Pantaleão, Simone Q., Fernandes, Philipe O., Gonçalves, José Eduardo, Maltarollo, Vinícius G., Honorio, Kathia Maria

“…This review presents the main aspects related to pharmacokinetic properties, which are essential for the efficacy and safety of drugs. This topic is very…”
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E7766, a Macrocycle‐Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan‐Genotypic Activity by Kim, Dae‐Shik, Endo, Atsushi, Fang, Francis G., Huang, Kuan‐Chun, Bao, Xingfeng, Choi, Hyeong‐wook, Majumder, Utpal, Shen, Young Y., Mathieu, Steven, Zhu, Xiaojie, Sanders, Kristen, Noland, Thomas, Hao, Ming‐Hong, Chen, Yu, Wang, John Y., Yasui, So, TenDyke, Karen, Wu, Jiayi, Ingersoll, Christy, Loiacono, Kara A., Hutz, Janna E., Sarwar, Nadeem

“…A strategy for creating potent and pan‐genotypic stimulator of interferon genes (STING) agonists is described. Locking a bioactive U‐shaped conformation of…”
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Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer by Lücking, Ulrich, Scholz, Arne, Lienau, Philip, Siemeister, Gerhard, Kosemund, Dirk, Bohlmann, Rolf, Briem, Hans, Terebesi, Ildiko, Meyer, Kirstin, Prelle, Katja, Denner, Karsten, Bömer, Ulf, Schäfer, Martina, Eis, Knut, Valencia, Ray, Ince, Stuart, von Nussbaum, Franz, Mumberg, Dominik, Ziegelbauer, Karl, Klebl, Bert, Choidas, Axel, Nussbaumer, Peter, Baumann, Matthias, Schultz‐Fademrecht, Carsten, Rühter, Gerd, Eickhoff, Jan, Brands, Michael

“…Selective inhibition of exclusively transcription‐regulating PTEFb/CDK9 is a promising new approach in cancer therapy. Starting from lead compound BAY‐958,…”
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Recent Advances in the Development of Indazole‐based Anticancer Agents by Dong, Jinyun, Zhang, Qijing, Wang, Zengtao, Huang, Guang, Li, Shaoshun

“…Cancer is one of the leading causes of human mortality globally; therefore, intensive efforts have been made to seek new active drugs with improved anticancer…”
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Novel Pieces for the Emerging Picture of Sulfoximines in Drug Discovery: Synthesis and Evaluation of Sulfoximine Analogues of Marketed Drugs and Advanced Clinical Candidates by Sirvent, Juan Alberto, Lücking, Ulrich

“…Sulfoximines have gained considerable recognition as an important structural motif in drug discovery of late. In particular, the clinical kinase inhibitors for…”
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