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Wróbel, Tomasz M; Jørgensen, Flemming Steen; Pandey, Amit V; Grudzińska, Angelika; Sharma, Katyayani; Yakubu, Jibira; Björkling, Fredrik (2023). Non-steroidal CYP17A1 Inhibitors: Discovery and Assessment. Journal of medicinal chemistry, 66(10), pp. 6542-6566. American Chemical Society 10.1021/acs.jmedchem.3c00442
Personne, Hippolyte; Paschoud, Thierry; Fulgencio, Sofia; Baeriswyl, Stéphane; Köhler, Thilo; van Delden, Christian; Stocker, Achim; Javor, Sacha; Reymond, Jean-Louis (2023). To Fold or Not to Fold: Diastereomeric Optimization of an α-Helical Antimicrobial Peptide. Journal of medicinal chemistry, 66(11), pp. 7570-7583. American Chemical Society 10.1021/acs.jmedchem.3c00460
Bononi, Giulia; Di Stefano, Miriana; Poli, Giulio; Ortore, Gabriella; Meier, Philip; Masetto, Francesca; Caligiuri, Isabella; Rizzolio, Flavio; Macchia, Marco; Chicca, Andrea; Avan, Amir; Giovannetti, Elisa; Vagaggini, Chiara; Brai, Annalaura; Dreassi, Elena; Valoti, Massimo; Minutolo, Filippo; Granchi, Carlotta; Gertsch, Jürg and Tuccinardi, Tiziano (2022). Reversible Monoacylglycerol Lipase Inhibitors: Discovery of a New Class of Benzylpiperidine Derivatives. Journal of medicinal chemistry, 65(10), pp. 7118-7140. American Chemical Society 10.1021/acs.jmedchem.1c01806
Preti, Barbara; Suchankova, Anna; Deganutti, Giuseppe; Leuenberger, Michele; Barkan, Kerry; Manulak, Iga; Huang, Xianglin; Carvalho, Sabrina; Ladds, Graham; Lochner, Martin (2022). Discovery and Structure-Activity Relationship Studies of Novel Adenosine A1 Receptor-Selective Agonists. Journal of medicinal chemistry, 65(21), pp. 14864-14890. American Chemical Society 10.1021/acs.jmedchem.2c01414
Stevaert, Annelies; Krasniqi, Besir; Van Loy, Benjamin; Nguyen, Tien; Thomas, Joice; Vandeput, Julie; Jochmans, Dirk; Thiel, Volker; Dijkman, Ronald; Dehaen, Wim; Voet, Arnout; Naesens, Lieve (2021). Betulonic Acid Derivatives Interfering with Human Coronavirus 229E Replication via the nsp15 Endoribonuclease. Journal of medicinal chemistry, 64(9), pp. 5632-5644. American Chemical Society 10.1021/acs.jmedchem.0c02124
Knight, Anthony; Hemmings, Jennifer L.; Winfield, Ian; Leuenberger, Michele; Frattini, Eugenia; Frenguelli, Bruno G.; Dowell, Simon J.; Lochner, Martin; Ladds, Graham (2020). Correction to Discovery of Novel Adenosine Receptor Agonists That Exhibit Subtype Selectivity. Journal of medicinal chemistry, 63(18), p. 10531. American Chemical Society 10.1021/acs.jmedchem.0c01416
Thakkar, Amol; Selmi, Nidhal; Reymond, Jean-Louis; Engkvist, Ola; Bjerrum, Esben Jannik (2020). “Ring Breaker”: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space. Journal of medicinal chemistry, 63(16), pp. 8791-8808. American Chemical Society 10.1021/acs.jmedchem.9b01919
Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens (2020). Sila-Ibuprofen. Journal of medicinal chemistry, 63(21), pp. 12614-12622. American Chemical Society 10.1021/acs.jmedchem.0c00813
Granchi, Carlotta; Lapillo, Margherita; Glasmacher, Sandra; Bononi, Giulia; Licari, Cristina; Poli, Giulio; El Boustani, Maguie; Caligiuri, Isabella; Rizzolio, Flavio; Gertsch, Jürg; Macchia, Marco; Minutolo, Filippo; Tuccinardi, Tiziano; Chicca, Andrea (2019). Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor. Journal of medicinal chemistry, 62(4), pp. 1932-1958. American Chemical Society 10.1021/acs.jmedchem.8b01483
Taouai, Marwa; Chakroun, Khouloud; Sommer, Roman; Michaud, Gaelle; Giacalone, David; Ben Maaouia, Mohamed Amine; Vallin-Butruille, Aurélie; Mathiron, David; Abidi, Rym; Darbre, Tamis; Cragg, Peter J.; Mullié, Catherine; Reymond, Jean-Louis; O’Toole, George A.; Benazza, Mohammed (2019). Glycocluster Tetrahydroxamic Acids Exhibiting Unprecedented Inhibition of Pseudomonas aeruginosa Biofilms. Journal of medicinal chemistry, 62(17), pp. 7722-7738. American Chemical Society 10.1021/acs.jmedchem.9b00481
Aghazadeh Tabrizi, Mojgan; Baraldi, Pier Giovanni; Baraldi, Stefania; Ruggiero, Emanuela; De Stefano, Lucia; Rizzolio, Flavio; Di Cesare Mannelli, Lorenzo; Ghelardini, Carla; Chicca, Andrea; Lapillo, Margherita; Gertsch, Jürg; Manera, Clementina; Macchia, Marco; Martinelli, Adriano; Granchi, Carlotta; Minutolo, Filippo; Tuccinardi, Tiziano (2018). Discovery of 1,5-Diphenylpyrazole-3-Carboxamide Derivatives as Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors. Journal of medicinal chemistry, 61(3), pp. 1340-1354. American Chemical Society 10.1021/acs.jmedchem.7b01845
Nock, Berthold A; Charalambidis, David; Sallegger, Werner; Waser, Beatrice; Mansi, Rosalba; Nicolas, Guillaume P; Ketani, Eleni; Nikolopoulou, Anastasia; Fani, Melpomeni; Reubi, Jean-Claude; Maina, Theodosia (2018). New Gastrin Releasing Peptide Receptor-Directed [Tc]Demobesin 1 Mimics: Synthesis and Comparative Evaluation. Journal of medicinal chemistry, 61(7), pp. 3138-3150. American Chemical Society 10.1021/acs.jmedchem.8b00177
Chien, Huan-Chieh; Colas, Claire; Finke, Karissa; Springer, Seth; Stoner, Laura; Zur, Arik A; Venteicher, Brooklynn; Campbell, Jerome; Hall, Colton; Flint, Andrew; Augustyn, Evan; Hernandez, Christopher; Heeren, Nathan; Hansen, Logan; Anthony, Abby; Bauer, Justine; Fotiadis, Dimitrios José; Schlessinger, Avner; Giacomini, Kathleen M and Thomas, Allen A (2018). Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). Journal of medicinal chemistry, 61(16), pp. 7358-7373. American Chemical Society 10.1021/acs.jmedchem.8b01007
Middendorp, Simon Jan; Wilbs, Jonas; Quarroz, Claudia; Calzavarini, Sara; Angelillo-Scherrer, Anne; Heinis, Christian (2017). Peptide macrocycle inhibitor of coagulation factor XII with subnanomolar affinity and high target selectivity. Journal of medicinal chemistry, 60(3), pp. 1151-1158. American Chemical Society 10.1021/acs.jmedchem.6b01548
Knight, Anthony; Hemmings, Jennifer Luise; Winfield, Ian; Leuenberger, Michele; Frattini, Eugenia; Frenguelli, Bruno G.; Dowell, Simon J.; Lochner, Martin; Ladds, Graham (2016). Discovery of Novel Adenosine Receptor Agonists That Exhibit Subtype Selectivity. Journal of medicinal chemistry, 59(3), pp. 947-964. American Chemical Society 10.1021/acs.jmedchem.5b01402
Kilchmann, Falco; Marcaida, Maria; Sachin, Kotak; Schick, Thomas; Boss, Silvan; Awale, Mahendra; Gönczy, Pierre; Reymond, Jean-Louis (2016). Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. Journal of medicinal chemistry, 59(15), pp. 7188-7211. American Chemical Society 10.1021/acs.jmedchem.6b00709
Mansi, Rosalba; Abiraj, Keelara; Wang, Xuejuan; Tamma, Maria Luisa; Gourni, Eleni; Cescato, Renzo; Berndt, Sandra; Reubi, Jean Claude; Maecke, Helmut R (2015). Evaluation of three different families of bombesin receptor radioantagonists for targeted imaging and therapy of gastrin releasing peptide receptor (GRP-R) positive tumors. Journal of medicinal chemistry, 58(2), pp. 682-691. American Chemical Society 10.1021/jm5012066
Maina, Theodosia; Cescato, Renzo; Waser, Beatrice; Tatsi, Aikaterini; Kaloudi, Aikaterini; Krenning, Eric P; de Jong, Marion; Nock, Berthold A; Reubi, Jean-Claude (2014). [111In-DOTA]LTT-SS28, a first pansomatostatin radioligand for in vivo targeting of somatostatin receptor-positive tumors. Journal of medicinal chemistry, 57(15), pp. 6564-6571. American Chemical Society 10.1021/jm500581d
Nock, Berthold A; Cescato, Renzo; Ketani, Eleni; Waser, Beatrice; Reubi, Jean-Claude; Maina, Theodosia (2012). [(99m)Tc]Demomedin C, a radioligand based on human gastrin releasing peptide(18-27): synthesis and preclinical evaluation in gastrin releasing peptide receptor-expressing models. Journal of medicinal chemistry, 55(19), pp. 8364-74. Easton, Pa.: American Chemical Society 10.1021/jm300741f
Yang, Peng; Myint, Kyaw-Zeyar; Tong, Qin; Feng, Rentian; Cao, Haiping; Almehizia, Abdulrahman A; Alqarni, Mohammed Hamed; Wang, Lirong; Bartlow, Patrick; Gao, Yingdai; Gertsch, Jürg; Teramachi, Jumpei; Kurihara, Noriyoshi; Roodman, Garson David; Cheng, Tao; Xie, Xiang-Qun (2012). Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitors. Journal of medicinal chemistry, 55(22), pp. 9973-87. Easton, Pa.: American Chemical Society 10.1021/jm301212u
Bréthous, Lise; Garcia-Delgado, Noemi; Schwartz, Julian; Bertrand, Sonia; Bertrand, Daniel; Reymond, Jean-Louis (2012). Synthesis and Nicotinic Receptor Activity of Chemical Space Analogues of N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-4-chlorobenzamide (PNU-282,987) and 1,4-Diazabicyclo[3.2.2]nonane-4-carboxylic Acid 4-Bromophenyl Ester (SSR180711). Journal of medicinal chemistry, 55(10), pp. 4605-4618. Easton, Pa.: American Chemical Society 10.1021/jm300030r
Orrling, KM; Jansen, C; Vu, XL; Balmer, V; Bregy, P; Shanmugham, A; England, P; Bailey, D; Cos, P; Maes, L; Adams, E; van den Bogaart, E; Chatelain, E; Ioset, JR; van de Stolpe, A; Zorg, S; Veerman, J; Seebeck, T; Sterk, GJ; de Esch, IJ; ... (2012). Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1. Journal of medicinal chemistry, 55(20), pp. 8645-8756. Easton, Pa.: American Chemical Society 10.1021/jm301059b
Erchegyi, Judit; Cescato, Renzo; Waser, Beatrice; Rivier, Jean E; Reubi, Jean-Claude (2011). N-imidazolebenzyl-histidine substitution in somatostatin and in its octapeptide analogue modulates receptor selectivity and function. Journal of medicinal chemistry, 54(17), pp. 5981-7. Easton, Pa.: American Chemical Society 10.1021/jm200307v
Kolenc-Peitl, Petra; Mansi, Rosalba; Tamma, MariaLuisa; Gmeiner-Stopar, Tanja; Sollner-Dolenc, Marija; Waser, Beatrice; Baum, Richard P; Reubi, Jean-Claude; Maecke, Helmut R (2011). Highly improved metabolic stability and pharmacokinetics of indium-111-DOTA-gastrin conjugates for targeting of the gastrin receptor. Journal of medicinal chemistry, 54(8), pp. 2602-9. Easton, Pa.: American Chemical Society 10.1021/jm101279a
Di Cianni, Alessandra; Carotenuto, Alfonso; Brancaccio, Diego; Novellino, Ettore; Reubi, Jean-Claude; Beetschen, Karin; Papini, Anna Maria; Ginanneschi, Mauro (2010). Novel octreotide dicarba-analogues with high affinity and different selectivity for somatostatin receptors. Journal of medicinal chemistry, 53(16), pp. 6188-97. Easton, Pa.: American Chemical Society 10.1021/jm1005868
Luethi, Erika; Nguyen, Kong T; Bürzle, Marc; Blum, Lorenz C; Suzuki, Yoshiro; Hediger, Matthias; Reymond, Jean-Louis (2010). Identification of selective norbornane-type aspartate analogue inhibitors of the glutamate transporter 1 (GLT-1) from the chemical universe generated database (GDB). Journal of medicinal chemistry, 53(19), pp. 7236-50. Easton, Pa.: American Chemical Society 10.1021/jm100959g
Peng, Jiangnan; Kudrimoti, Sucheta; Prasanna, Sivaprakasam; Odde, Srinivas; Doerksen, Robert J; Pennaka, Hari K; Choo, Yeun-Mun; Rao, Karumanchi V; Tekwani, Babu L; Madgula, Vamsi; Khan, Shabana I; Wang, Bin; Mayer, Alejandro M S; Jacob, Melissa R; Tu, Lan Chun; Gertsch, Jürg; Hamann, Mark T (2010). Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections. Journal of medicinal chemistry, 53(1), pp. 61-76. Easton, Pa.: American Chemical Society
Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin (2010). Toward Biophysical Probes for the Serotonin 5-HT3 Receptor: Structure–Activity Relationship Study of Granisetron Derivatives. Journal of medicinal chemistry, 53(5), pp. 2324-2328. Easton, Pa.: American Chemical Society 10.1021/jm901827x
Erchegyi, Judit; Cescato, Renzo; Grace, Christy Rani R; Waser, Beatrice; Piccand, Véronique; Hoyer, Daniel; Riek, Roland; Rivier, Jean E; Reubi, Jean-Claude (2009). Novel, potent, and radio-iodinatable somatostatin receptor 1 (sst1) selective analogues. Journal of medicinal chemistry, 52(9), pp. 2733-46. Easton, Pa.: American Chemical Society 10.1021/jm801314f
Akgün, Eyup; Körner Jachertz, Meike; Gao, Fan; Harikumar, Kaleeckal G; Waser, Beatrice; Reubi, Jean-Claude; Portoghese, Philip S; Miller, Laurence J (2009). Synthesis and in vitro characterization of radioiodinatable benzodiazepines selective for type 1 and type 2 cholecystokinin receptors. Journal of medicinal chemistry, 52(7), pp. 2138-47. Easton, Pa.: American Chemical Society 10.1021/jm801439x
Feytens, Debby; De Vlaeminck, Magali; Cescato, Renzo; Tourwé, Dirk; Reubi, Jean-Claude (2009). Highly potent 4-amino-indolo[2,3-c]azepin-3-one-containing somatostatin mimetics with a range of sst receptor selectivities. Journal of medicinal chemistry, 52(1), pp. 95-104. Easton, Pa.: American Chemical Society 10.1021/jm801205x
Markt, Patrick; Feldmann, Clemens; Rollinger, Judith Maria; Raduner, Stefan; Schuster, Daniela; Kirchmair, Johannes; Distinto, Simona; Spitzer, Gudrun Maria; Wolber, Gerhard; Laggner, Christian; Altmann, Karl-Heinz; Langer, Thierry; Gertsch, Jürg (2009). Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow. Journal of medicinal chemistry, 52(2), pp. 369-78. Easton, Pa.: American Chemical Society 10.1021/jm801044g
Mendoza-Ferri, Maria G.; Hartinger, Christian G.; Mendoza, Marco A.; Grössl, Michael; Egger, Alexander E.; Eichinger, Rene E.; Mangrum, John B.; Farrell, Nicholas P.; Maruszak, Magdalena; Bednarski, Patrick J.; Klein, Franz; Jakupec, Michael A.; Nazarov, Alexey A.; Severin, Kay; Keppler, Bernhard K. (2009). Transferring the Concept of Multinuclearity to Ruthenium Complexes for Improvement of Anticancer Activity. Journal of medicinal chemistry, 52(4), pp. 916-925. American Chemical Society 10.1021/jm8013234
Erchegyi, Judit; Grace, Christy Rani R; Samant, Manoj; Cescato, Renzo; Piccand, Veronique; Riek, Roland; Reubi, Jean Claude; Rivier, Jean E (2008). Ring size of somatostatin analogues (ODT-8) modulates receptor selectivity and binding affinity. Journal of medicinal chemistry, 51(9), pp. 2668-75. Easton, Pa.: American Chemical Society 10.1021/jm701444y
Grace, Christy Rani R; Erchegyi, Judit; Samant, Manoj; Cescato, Renzo; Piccand, Veronique; Riek, Roland; Reubi, Jean Claude; Rivier, Jean E (2008). Ring size in octreotide amide modulates differently agonist versus antagonist binding affinity and selectivity. Journal of medicinal chemistry, 51(9), pp. 2676-81. Easton, Pa.: American Chemical Society 10.1021/jm701445q
D'Addona, Debora; Carotenuto, Alfonso; Novellino, Ettore; Piccand, Véronique; Reubi, Jean Claude; Di Cianni, Alessandra; Gori, Francesca; Papini, Anna Maria; Ginanneschi, Mauro (2008). Novel sst5-selective somatostatin dicarba-analogues: synthesis and conformation-affinity relationships. Journal of medicinal chemistry, 51(3), pp. 512-20. Easton, Pa.: American Chemical Society 10.1021/jm070886i
Cescato, Renzo; Erchegyi, Judith; Waser, Beatrice; Piccand, Véronique; Maecke, Helmut R; Rivier, Jean E; Reubi, Jean Claude (2008). Design and in vitro characterization of highly sst2-selective somatostatin antagonists suitable for radiotargeting. Journal of medicinal chemistry, 51(13), pp. 4030-7. Easton, Pa.: American Chemical Society 10.1021/jm701618q
Erdélyi, Máté; Pfeiffer, Bernhard; Hauenstein, Kurt; Fohrer, Jörg; Gertsch, Jürg; Altmann, Karl-Heinz; Carlomagno, Teresa (2008). Conformational preferences of natural and C3-modified epothilones in aqueous solution. Journal of medicinal chemistry, 51(5), pp. 1469-73. Easton, Pa.: American Chemical Society 10.1021/jm7013452
Friebolin, Wolfgang; Jannack, Beate; Wenzel, Nicole; Furrer, Julien; Oeser, Thomas; Sanchez, Cecilia P.; Lanzer, Michael; Yardley, Vanessa; Becker, Katja; Davioud-Charvet, Elisabeth (2008). Antimalarial Dual Drugs Based on Potent Inhibitors of Glutathione Reductase from Plasmodium falciparum. Journal of medicinal chemistry, 51(5), pp. 1260-1277. American Chemical Society 10.1021/jm7009292
Feytens, Debby; Cescato, Renzo; Reubi, Jean Claude; Tourwé, Dirk (2007). New sst4/5-selective somatostatin peptidomimetics based on a constrained tryptophan scaffold. Journal of medicinal chemistry, 50(14), pp. 3397-401. Easton, Pa.: American Chemical Society 10.1021/jm070246f
Grössl, Michael; Reisner, Erwin; Hartinger, Christian G.; Eichinger, Rene; Semenova, Olga; Timerbaev, Andrei R.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K. (2007). Structure−Activity Relationships for NAMI-A-type Complexes (HL)[ trans -RuCl 4 L( S -dmso)ruthenate(III)] (L = Imidazole, Indazole, 1,2,4-Triazole, 4-Amino-1,2,4-triazole, and 1-Methyl-1,2,4-triazole): Aquation, Redox Properties, Protein Binding, and Antiproliferative Activity. Journal of medicinal chemistry, 50(9), pp. 2185-2193. American Chemical Society 10.1021/jm061081y
Nock, Berthold A; Nikolopoulou, Anastasia; Reubi, Jean-Claude; Maes, Veronique; Conrath, Peter; Tourwé, Dirk; Maina, Theodosia (2006). Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc. Journal of medicinal chemistry, 49(15), pp. 4767-76. Easton, Pa.: American Chemical Society 10.1021/jm060415g
Grace, Christy Rani R; Erchegyi, Judit; Koerber, Steven C; Reubi, Jean Claude; Rivier, Jean; Riek, Roland (2006). Novel sst2-selective somatostatin agonists. Three-dimensional consensus structure by NMR. Journal of medicinal chemistry, 49(15), pp. 4487-96. Easton, Pa.: American Chemical Society 10.1021/jm060363v
Schuster, Daniela; Maurer, Evelyne M; Laggner, Christian; Nashev, Lyubomir G; Wilckens, Thomas; Langer, Thierry; Odermatt, Alex (2006). The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening. Journal of medicinal chemistry, 49(12), pp. 3454-66. Easton, Pa.: American Chemical Society 10.1021/jm0600794
Furrer, Julien; Luy, Burkhard; Basrur, Venkatesha; Roberts, David D.; Barchi, Joseph J. (2006). Conformational Analysis of an α3β1 Integrin-Binding Peptide from Thrombospondin-1: Implications for Antiangiogenic Drug Design 1. Journal of medicinal chemistry, 49(21), pp. 6324-6333. American Chemical Society 10.1021/jm060833l
Lazzarato, Loretta; Rolando, Barbara; Lolli, Marco L; Tron, Gian Cesare; Fruttero, Roberta; Gasco, Alberto; Deleide, Guido; Guenther, Harald L (2005). Synthesis of NO-donor bisphosphonates and their in-vitro action on bone resorption. Journal of medicinal chemistry, 48(5), pp. 1322-9. Easton, Pa.: American Chemical Society 10.1021/jm040830d
