Insights into Structure-Activity Relationships of Somatostatin Analogs Containing Mesitylalanine

by Pablo Martín-Gago, Eric Aragón, Marc Gomez-Caminals, Jimena Fernández-Carneado, Rosario Ramón, Pau Martin-Malpartida, Xavier Verdaguer, Pilar López-Ruiz, Begoña Colás, María Alicia Cortes, Berta Ponsati, Maria J. Macias, Antoni Riera
Published 2013-11-01

Chemical similarity and biological activities

by Kubinyi Hugo
Published 2002-01-01

Disordered Peptides Looking for Their Native Environment: Structural Basis of CB1 Endocannabinoid Receptor Binding to Pepcans

by Alessandro Emendato, Remo Guerrini, Erika Marzola, Hans Wienk, Rolf Boelens, Serena Leone, Delia Picone
Published 2018-11-01

In Silico Mining for Antimalarial Structure-Activity Knowledge and Discovery of Novel Antimalarial Curcuminoids

by Birgit Viira, Thibault Gendron, Don Antoine Lanfranchi, Sandrine Cojean, Dragos Horvath, Gilles Marcou, Alexandre Varnek, Louis Maes, Uko Maran, Philippe M. Loiseau, Elisabeth Davioud-Charvet
Published 2016-06-01

Quantitative Structure-Activity Relationships Study on the Rate Constants of Polychlorinated Dibenzo-p-Dioxins with OH Radical

by Chuansong Qi, Chenxi Zhang, Xiaomin Sun
Published 2015-08-01

Potential Environmental Risk Characteristics of PCB Transformation Products in the Environmental Medium

by Minghao Li, Wei He, Hao Yang, Shimei Sun, Yu Li
Published 2021-09-01

Synthesis and structure-activity relationship studies of 1,4-naphthoquinone derivatives as potential anti-trypanosomal agents

by Chakaingesu, Chikomborero
Published 2014

Tetrahydroquinazole-based secondary sulphonamides as carbonic anhydrase inhibitors: synthesis, biological evaluation against isoforms I, II, IV, and IX, and computational studies

by Emma Baglini, Rahul Ravichandran, Emanuela Berrino, Silvia Salerno, Elisabetta Barresi, Anna Maria Marini, Monica Viviano, Sabrina Castellano, Federico Da Settimo, Claudiu T. Supuran, Sandro Cosconati, Sabrina Taliani
Published 2021-01-01

Phenylalanine Stereoisomers of CJ-15,208 and [d-Trp]CJ-15,208 Exhibit Distinctly Different Opioid Activity Profiles

by Ariana C. Brice-Tutt, Sanjeewa N. Senadheera, Michelle L. Ganno, Shainnel O. Eans, Tanvir Khaliq, Thomas F. Murray, Jay P. McLaughlin, Jane V. Aldrich
Published 2020-09-01

Computational Method for Quantitative Comparison of Activity Landscapes on the Basis of Image Data

by Javed Iqbal, Martin Vogt, Jürgen Bajorath
Published 2020-08-01

NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

by Antreas Afantitis, Georgia Melagraki, Panagiotis Isigonis, Andreas Tsoumanis, Dimitra Danai Varsou, Eugenia Valsami-Jones, Anastasios Papadiamantis, Laura-Jayne A. Ellis, Haralambos Sarimveis, Philip Doganis, Pantelis Karatzas, Periklis Tsiros, Irene Liampa, Vladimir Lobaskin, Dario Greco, Angela Serra, Pia Anneli Sofia Kinaret, Laura Aliisa Saarimäki, Roland Grafström, Pekka Kohonen, Penny Nymark, Egon Willighagen, Tomasz Puzyn, Anna Rybinska-Fryca, Alexander Lyubartsev, Keld Alstrup Jensen, Jan Gerit Brandenburg, Stephen Lofts, Claus Svendsen, Samuel Harrison, Dieter Maier, Kaido Tamm, Jaak Jänes, Lauri Sikk, Maria Dusinska, Eleonora Longhin, Elise Rundén-Pran, Espen Mariussen, Naouale El Yamani, Wolfgang Unger, Jörg Radnik, Alexander Tropsha, Yoram Cohen, Jerzy Leszczynski, Christine Ogilvie Hendren, Mark Wiesner, David Winkler, Noriyuki Suzuki, Tae Hyun Yoon, Jang-Sik Choi, Natasha Sanabria, Mary Gulumian, Iseult Lynch
Published 2020-01-01

A Chemoinformatics Approach to the Discovery of Lead-Like Molecules from Marine and Microbial Sources En Route to Antitumor and Antibiotic Drugs

by Florbela Pereira, Diogo A. R. S. Latino, Susana P. Gaudêncio
Published 2014-01-01

Insights into Structure-Activity Relationships of 3-Arylhydrazonoindolin-2-One Derivatives for Their Multitarget Activity on β-Amyloid Aggregation and Neurotoxicity

by Rosa Purgatorio, Modesto de Candia, Annalisa De Palma, Francesco De Santis, Leonardo Pisani, Francesco Campagna, Saverio Cellamare, Cosimo Damiano Altomare, Marco Catto
Published 2018-06-01

Synthesis and Antimicrobial Evaluation of 1-[(2-Substituted phenyl)carbamoyl]naphthalen-2-yl Carbamates

by Tomas Gonec, Sarka Pospisilova, Lucie Holanova, Josef Stranik, Aneta Cernikova, Valeria Pudelkova, Jiri Kos, Michal Oravec, Peter Kollar, Alois Cizek, Josef Jampilek
Published 2016-09-01

Docking, Interaction Fingerprint, and Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR) of Sigma1 Receptor Ligands, Analogs of the Neuroprotective Agent RC-3...

by José Luis Velázquez-Libera, Giacomo Rossino, Carlos Navarro-Retamal, Simona Collina, Julio Caballero
Published 2019-07-01

A QSAR approach for virtual screening of lead-like molecules en route to antitumor and antibiotic drugs from marine and microbial natural products

by Florbela Pereira, Diogo A. R. S. Latino
Published 2014-05-01

Thinking in Terms of Structure-Activity-Relationships (T-SAR): A Tool to Better Understand Nanofiltration Membranes

by Stefan Stolte, Jorg Thöming, José F. Fernández, Bernd Jastorff, Reinhold Störmann
Published 2011-07-01

New Potentially Active Pyrazinamide Derivatives Synthesized Under Microwave Conditions

by Ondrej Jandourek, Martin Dolezal, Jiri Kunes, Vladimir Kubicek, Pavla Paterova, Matus Pesko, Vladimir Buchta, Katarina Kralova, Jan Zitko
Published 2014-07-01

Design and Antiproliferative Evaluation of Novel Sulfanilamide Derivatives as Potential Tubulin Polymerization Inhibitors

by Dong-Jun Fu, Ji-Feng Liu, Ruo-Han Zhao, Jia-Huan Li, Sai-Yang Zhang, Yan-Bing Zhang
Published 2017-09-01

1H-2,3-Dihydroperimidine Derivatives: A New Class of Potent Protein Tyrosine Phosphatase 1B Inhibitors

by Wen-Long Wang, Dong-Lin Yang, Li-Xin Gao, Chun-Lan Tang, Wei-Ping Ma, Hui-Hua Ye, Si-Qi Zhang, Ya-Nan Zhao, Hao-Jie Xu, Zhao Hu, Xia Chen, Wen-Hua Fan, Hai-Jun Chen, Jing-Ya Li, Fa-Jun Nan, Jia Li, Bainian Feng
Published 2013-12-01