Works matching DE "CHEMICAL libraries"

Results: 786

Molecularly imprinted polymers as antibody and receptor mimics for assays, sensors and drug discovery.

Published in:

Analytical & Bioanalytical Chemistry, 2004, v. 378, n. 8, p. 1887, doi. 10.1007/s00216-003-2450-8

By:

Lei Ye;
Haupt, Karsten

Publication type:

Article

Designing libraries for pooled CRISPR functional screens of long noncoding RNAs.

Published in:

Mammalian Genome, 2022, v. 33, n. 2, p. 312, doi. 10.1007/s00335-021-09918-9

By:

Pulido-Quetglas, Carlos;
Johnson, Rory

Publication type:

Article

Personalized oncology and BRAFK601N melanoma: model development, drug discovery, and clinical correlation.

Published in:

Journal of Cancer Research & Clinical Oncology, 2021, v. 147, n. 5, p. 1365, doi. 10.1007/s00432-021-03545-2

By:

Keller, Brian A.;
Laight, Brian J.;
Varette, Oliver;
Broom, Aron;
Wedge, Marie-Ève;
McSweeney, Benjamin;
Cemeus, Catia;
Petryk, Julia;
Lo, Bryan;
Burns, Bruce;
Nessim, Carolyn;
Ong, Michael;
Chica, Roberto A.;
Atkins, Harold L.;
Diallo, Jean-Simon;
Ilkow, Carolina S.;
Bell, John C.

Publication type:

Article

Compounds from the Medicines for Malaria Venture Box Inhibit In Vitro Growth of Babesia divergens , a Blood-Borne Parasite of Veterinary and Zoonotic Importance.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7118, doi. 10.3390/molecules26237118

By:

Rizk, Mohamed Abdo;
El-Sayed, Shimaa Abd El-Salam;
Alkhoudary, Mahmoud S.;
Alsharif, Khalaf F.;
Abdel-Daim, Mohamed M.;
Igarashi, Ikuo

Publication type:

Article

Biosynthetic Strategies for Macrocyclic Peptides.

Published in:

Molecules, 2021, v. 26, n. 11, p. 3338, doi. 10.3390/molecules26113338

By:

Wang, Wei;
Khojasteh, S. Cyrus;
Su, Dian

Publication type:

Article

Prioritisation of Compounds for 3CL pro Inhibitor Development on SARS-CoV-2 Variants.

Published in:

Molecules, 2021, v. 26, n. 10, p. 3003, doi. 10.3390/molecules26103003

By:

Jukič, Marko;
Škrlj, Blaž;
Tomšič, Gašper;
Pleško, Sebastian;
Podlipnik, Črtomir;
Bren, Urban;
Cichero, Elena

Publication type:

Article

Improved Diazo-Transfer Reaction for DNA-Encoded Chemistry and Its Potential Application for Macrocyclic DEL-Libraries.

Published in:

Molecules, 2021, v. 26, n. 6, p. 1790, doi. 10.3390/molecules26061790

By:

Ede, Selahattin;
Schenk, Mandy;
Bierer, Donald;
Weinmann, Hilmar;
Graham, Keith;
Borbone, Nicola

Publication type:

Article

Alkyl-Resorcinol Derivatives as Inhibitors of GDP-Mannose Pyrophosphorylase with Antileishmanial Activities.

Published in:

Molecules, 2021, v. 26, n. 6, p. 1551, doi. 10.3390/molecules26061551

By:

Levaique, Hélène;
Pamlard, Olivier;
Apel, Cécile;
Bignon, Jérôme;
Arriola, Margaux;
Kuhner, Robin;
Awang, Khalijah;
Loiseau, Philippe M.;
Litaudon, Marc;
Pomel, Sébastien;
Braga, Susana Santos

Publication type:

Article

Synthesis of Medium-Sized Heterocycles by Transition-Metal-Catalyzed Intramolecular Cyclization.

Published in:

Molecules, 2020, v. 25, n. 14, p. 3147, doi. 10.3390/molecules25143147

By:

Choury, Mickael;
Basilio Lopes, Alexandra;
Blond, Gaëlle;
Gulea, Mihaela

Publication type:

Article

Rifamycin O, An Alternative Anti-Mycobacterium abscessus Agent.

Published in:

Molecules, 2020, v. 25, n. 7, p. 1597, doi. 10.3390/molecules25071597

By:

Hanh, Bui Thi Bich;
Park, June-Woo;
Kim, Tae Ho;
Kim, Jae-Sung;
Yang, Chul-Su;
Jang, Kiseok;
Cui, Jinsheng;
Oh, Dong-Chan;
Jang, Jichan

Publication type:

Article

Application of a Substrate-Mediated Selection with c-Src Tyrosine Kinase to a DNA-Encoded Chemical Library.

Published in:

Molecules, 2019, v. 24, n. 15, p. 2764, doi. 10.3390/molecules24152764

By:

Kim, Dongwook;
Sun, Yixing;
Xie, Dan;
Denton, Kyle E.;
Chen, Hao;
Lin, Hang;
Wendt, Michael K.;
Post, Carol Beth;
Krusemark, Casey J.

Publication type:

Article

DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations.

Published in:

Molecules, 2015, v. 20, n. 6, p. 9977, doi. 10.3390/molecules20069977

By:

Cuzzolin, Alberto;
Sturlese, Mattia;
Malvacio, Ivana;
Ciancetta, Antonella;
Moro, Stefano

Publication type:

Article

Automated Synthesis of a 96 Product-Sized Library of Triazole Derivatives Using a Solid Phase Supported Copper Catalyst.

Published in:

Molecules, 2010, v. 15, n. 5, p. 3087, doi. 10.3390/molecules15053087

By:

Jlalia, Ibtissem;
Beauvineau, Claire;
Beauvière, Sophie;
Önen, Esra;
Aufort, Marie;
Beauvineau, Aymeric;
Khaba, Eihab;
Herscovici, Jean;
Meganem, Faouzi;
Girard, Christian

Publication type:

Article

Assay Format as a Critical Success Factor for Identification of Novel Inhibitor Chemotypes of Tissue-Nonspecific Alkaline Phosphatase from High-Throughput Screening.

Published in:

Molecules, 2010, v. 15, n. 5, p. 3010, doi. 10.3390/molecules15053010

By:

Chung, Thomas D. Y.;
Sergienko, Eduard;
Millán, José Luis

Publication type:

Article

Insights into performance evaluation of compound–protein interaction prediction methods.

Published in:

Bioinformatics, 2022, v. 38, p. ii75, doi. 10.1093/bioinformatics/btac496

By:

Yaseen, Adiba;
Amin, Imran;
Akhter, Naeem;
Ben-Hur, Asa;
Minhas, Fayyaz

Publication type:

Article

DD-GUI: a graphical user interface for deep learning-accelerated virtual screening of large chemical libraries (Deep Docking).

Published in:

Bioinformatics, 2022, v. 38, n. 4, p. 1146, doi. 10.1093/bioinformatics/btab771

By:

Yaacoub, Jean Charle;
Gleave, James;
Gentile, Francesco;
Stern, Abraham;
Cherkasov, Artem

Publication type:

Article

FastTargetPred: a program enabling the fast prediction of putative protein targets for input chemical databases.

Published in:

Bioinformatics, 2020, v. 36, n. 14, p. 4225, doi. 10.1093/bioinformatics/btaa494

By:

Chaput, Ludovic;
Guillaume, Valentin;
Singh, Natesh;
Deprez, Benoit;
Villoutreix, Bruno O

Publication type:

Article

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.

Published in:

Bioinformatics, 2011, v. 27, n. 14, p. 2018, doi. 10.1093/bioinformatics/btr333

By:

Lagorce, David;
Maupetit, Julien;
Baell, Jonathan;
Sperandio, Olivier;
Tufféry, Pierre;
Miteva, Maria A.;
Galons, Hervé;
Villoutreix, Bruno O.

Publication type:

Article

Ferrocene Derivatives as Histone Deacetylase Inhibitors: Synthesis and Biological Evaluation.

Published in:

Organics, 2025, v. 6, n. 1, p. 4, doi. 10.3390/org6010004

By:

Angelova, Rostislava;
Stavrakov, Georgi

Publication type:

Article

Discovery of Arylfuran and Carbohydrate Derivatives from the BraCoLi Library as Potential Zika Virus NS3 pro Inhibitors.

Published in:

Future Pharmacology, 2025, v. 5, n. 1, p. 9, doi. 10.3390/futurepharmacol5010009

By:

Marcelino e Oliveira, Fernanda Kelly;
Murta Rezende Moraes Ribeiro, Beatriz;
Gonçalves de Oliveira, Ellen;
Mol Sena Andrade Verzola, Marina;
Kronenberger, Thales;
Gonçalves Maltarollo, Vinícius;
Alves, Ricardo José;
Barbosa de Oliveira, Renata;
Salgado Ferreira, Rafaela;
Santos Abrahão, Jônatas;
Sá Magalhães Serafim, Mateus

Publication type:

Article

Bortezomib-induced neuropathy is in part mediated by the sensitization of TRPV1 channels.

Published in:

Communications Biology, 2023, v. 6, n. 1, p. 1, doi. 10.1038/s42003-023-05624-1

By:

Sprague, Jared M.;
Yekkirala, Ajay S.;
Singh, Bhagat;
Tochitsky, Ivan;
Stephens, Michael;
Viramontes, Octavio;
Ivanis, Jelena;
Biscola, Natalia P.;
Havton, Leif A.;
Woolf, Clifford J.;
Latremoliere, Alban

Publication type:

Article

Processes of 1,3-Dipolar cycloaddition in nucleoside, nucleotide and bio conjugation and its importance in medicinal chemistry.

Published in:

Magazine of Al-Kufa University for Biology, 2023, v. 15, n. 1, p. 25, doi. 10.36320/ajb/v15.i1.11725

By:

Kareem, A. F.;
Abbas, S. F.;
Mubarak, H. A.;
Alwan, H. H.

Publication type:

Article

Versatile Solid Supports for Oligonucleotide Synthesis that Incorporate Urea Bridge.

Published in:

Nucleosides, Nucleotides & Nucleic Acids, 2011, v. 30, n. 7/8, p. 475, doi. 10.1080/15257770.2011.582851

By:

Yagodkin, Andrey;
Weisel, Janne;
Azhayev, Alex

Publication type:

Article

SYNTHESIS OF ADAMANTANE SCAFFORD CONTAINING NEW DERIVATIVES.

Published in:

Oxidation Communications, 2024, v. 47, n. 4, p. 678

By:

BUKIA, T.;
TABATADZE, T.;
TATRISHVILI, T.;
LAGVILAVA, I.

Publication type:

Article

Staphylococcus aureus Biofilm-Associated Infections: Have We Found a Clinically Relevant Target?

Published in:

Microorganisms, 2025, v. 13, n. 4, p. 852, doi. 10.3390/microorganisms13040852

By:

Beenken, Karen E.;
Smeltzer, Mark S.

Publication type:

Article

Water-Soluble Fullerene C 60 Derivatives Are Effective Inhibitors of Influenza Virus Replication.

Published in:

Microorganisms, 2023, v. 11, n. 3, p. 681, doi. 10.3390/microorganisms11030681

By:

Sinegubova, Ekaterina O.;
Kraevaya, Olga A.;
Volobueva, Aleksandrina S.;
Zhilenkov, Alexander V.;
Shestakov, Alexander F.;
Baykov, Sergey V.;
Troshin, Pavel A.;
Zarubaev, Vladimir V.

Publication type:

Article

Direct Detection of Antibacterial-Producing Soil Isolates Utilizing a Novel High-Throughput Screening Assay.

Published in:

Microorganisms, 2022, v. 10, n. 11, p. 2235, doi. 10.3390/microorganisms10112235

By:

Laubscher, Wikus Ernst;
Rautenbach, Marina

Publication type:

Article

Discovery of Z1362873773: a novel fascin inhibitor from a large chemical library for colorectal cancer.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-96457-x

By:

Rodríguez-Martínez, Alejandro;
Giraldo-Ruiz, Lucía;
Ramos, María C.;
Luque, Irene;
Ribeiro, Diogo;
Postigo-Corrales, Fátima;
Alburquerque-González, Begoña;
Montoro-García, Silvia;
Arroyo-Rodríguez, Ana Belén;
Conesa-Zamora, Pablo;
Hurtado, Ana María;
Luengo-Gil, Ginés;
Pérez-Sánchez, Horacio

Publication type:

Article

Inflammatory signaling pathways play a role in SYK inhibitor resistant AML.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-96660-w

By:

Tausch, Sarah;
Villinger, Christina;
Alexe, Gabriela;
Urban, Daniel J.;
Shen, Min;
Jahn, Dominique;
Vischedyk, Jonas;
Scheich, Sebastian;
Serve, Hubert;
Hall, Matthew D.;
Stegmaier, Kimberly;
Oellerich, Thomas;
Cremer, Anjali

Publication type:

Article

Identification of new ClpC1-NTD binders for Mycobacterium tuberculosis drug development.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-92778-z

By:

Weinhäupl, Katharina;
Meuret, Louis;
Desrat, Sandy;
Roussi, Fanny;
Morellet, Nelly;
Beaupierre, Sandra;
Guillou, Catherine;
van Heijenoort, Carine;
Abian, Olga;
Vega, Sonia;
Wolf, Ian;
Akopian, Tatos;
Krandor, Olga;
Rubin, Eric;
Velazquez-Campoy, Adrian;
Gauto, Diego;
Fraga, Hugo

Publication type:

Article

Non-Nucleoside Lycorine-Based Analogs as Potential DENV/ZIKV NS5 Dual Inhibitors: Structure-Based Virtual Screening and Chemoinformatic Analysis.

Published in:

Metabolites (2218-1989), 2024, v. 14, n. 10, p. 519, doi. 10.3390/metabo14100519

By:

Rodríguez-Ararat, Adrián Camilo;
Hayek-Orduz, Yasser;
Vásquez, Andrés-Felipe;
Sierra-Hurtado, Felipe;
Villegas-Torres, María-Francisca;
Caicedo-Burbano, Paola A.;
Achenie, Luke E. K.;
Barrios, Andrés Fernando González

Publication type:

Article

Deciphering Molecular Aspects of Potential α -Glucosidase Inhibitors within Aspergillus terreus : A Computational Odyssey of Molecular Docking-Coupled Dynamics Simulations and Pharmacokinetic Profiling.

Published in:

Metabolites (2218-1989), 2023, v. 13, n. 8, p. 942, doi. 10.3390/metabo13080942

By:

Elhady, Sameh S.;
Alshobaki, Noha M.;
Elfaky, Mahmoud A.;
Koshak, Abdulrahman E.;
Alharbi, Majed;
Abdelhameed, Reda F. A.;
Darwish, Khaled M.

Publication type:

Article

Memory-Efficient Searching of Gas-Chromatography Mass Spectra Accelerated by Prescreening.

Published in:

Metabolites (2218-1989), 2022, v. 12, n. 6, p. 491, doi. 10.3390/metabo12060491

By:

Smirnov, Aleksandr;
Liao, Yunfei;
Du, Xiuxia

Publication type:

Article

Creating a Reliable Mass Spectral–Retention Time Library for All Ion Fragmentation-Based Metabolomics.

Published in:

Metabolites (2218-1989), 2019, v. 9, n. 11, p. 251, doi. 10.3390/metabo9110251

By:

Tada, Ipputa;
Tsugawa, Hiroshi;
Meister, Isabel;
Zhang, Pei;
Shu, Rie;
Katsumi, Riho;
Wheelock, Craig E.;
Arita, Masanori;
Chaleckis, Romanas

Publication type:

Article

Metabolomics-Based Studies Assessing Exercise-Induced Alterations of the Human Metabolome: A Systematic Review.

Published in:

Metabolites (2218-1989), 2019, v. 9, n. 8, p. 164, doi. 10.3390/metabo9080164

By:

Sakaguchi, Camila A.;
Nieman, David C.;
Signini, Etore F.;
Abreu, Raphael M.;
Catai, Aparecida M.

Publication type:

Article

Synthesis and in Silico Investigation of Organoselenium-Clubbed Schiff Bases as Potential M pro Inhibitors for the SARS-CoV-2 Replication.

Published in:

Life (2075-1729), 2023, v. 13, n. 4, p. 912, doi. 10.3390/life13040912

By:

Shaaban, Saad;
Abdou, Aly;
Alhamzani, Abdulrahman G.;
Abou-Krisha, Mortaga M.;
Al-Qudah, Mahmoud A.;
Alaasar, Mohamed;
Youssef, Ibrahim;
Yousef, Tarek A.

Publication type:

Article

Investigation of chemical space networks using graph measures and random matrix theory.

Published in:

Journal of Mathematical Chemistry, 2022, v. 60, n. 5, p. 891, doi. 10.1007/s10910-022-01341-y

By:

Kothiyal, Manuja;
Kumar, Santosh;
Sukumar, N.

Publication type:

Article

Virtual fragment screening for DNA repair inhibitors in vast chemical space.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56893-9

By:

Luttens, Andreas;
Vo, Duc Duy;
Scaletti, Emma R.;
Wiita, Elisée;
Almlöf, Ingrid;
Wallner, Olov;
Davies, Jonathan;
Košenina, Sara;
Meng, Liuzhen;
Long, Maeve;
Mortusewicz, Oliver;
Masuyer, Geoffrey;
Ballante, Flavio;
Michel, Maurice;
Homan, Evert;
Scobie, Martin;
Kalderén, Christina;
Warpman Berglund, Ulrika;
Tarnovskiy, Andrii V.;
Radchenko, Dmytro S.

Publication type:

Article

Activation of lysophagy by a TBK1-SCF<sup>FBXO3</sup>-TMEM192-TAX1BP1 axis in response to lysosomal damage.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56294-y

By:

Park, Na Yeon;
Jo, Doo Sin;
Yang, Jae-Yoon;
Bae, Ji-Eun;
Kim, Joon Bum;
Kim, Yong Hwan;
Kim, Seong Hyun;
Kim, Pansoo;
Lee, Dong-Seok;
Yoshimori, Tamotsu;
Jo, Eun-Kyeong;
Yeom, Eunbyul;
Cho, Dong-Hyung

Publication type:

Article

Coordinated cellular behavior regulated by epinephrine neurotransmitters in the nerveless placozoa.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52941-y

By:

Jin, Minjun;
Li, Wanqing;
Ji, Zhongyu;
Di, Guotao;
Yuan, Meng;
Zhang, Yifan;
Kang, Yunsi;
Zhao, Chengtian

Publication type:

Article

PRMT1 inhibition perturbs RNA metabolism and induces DNA damage in clear cell renal cell carcinoma.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52507-y

By:

Walton, Joseph;
Ng, Angel S. N.;
Arevalo, Karen;
Apostoli, Anthony;
Meens, Jalna;
Karamboulas, Christina;
St-Germain, Jonathan;
Prinos, Panagiotis;
Dmytryshyn, Julia;
Chen, Eric;
Arrowsmith, Cheryl H.;
Raught, Brian;
Ailles, Laurie

Publication type:

Article

Data-driven discovery of potent small molecule ice recrystallisation inhibitors.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52266-w

By:

Warren, Matthew T.;
Biggs, Caroline I.;
Bissoyi, Akalabya;
Gibson, Matthew I.;
Sosso, Gabriele C.

Publication type:

Article

High-throughput sensitive screening of small molecule modulators of microexon alternative splicing using dual Nano and Firefly luciferase reporters.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-50399-6

By:

Best, Andrew J.;
Braunschweig, Ulrich;
Wu, Mingkun;
Farhangmehr, Shaghayegh;
Pasculescu, Adrian;
Lim, Justin J.;
Comsa, Lim Caden;
Jen, Mark;
Wang, Jenny;
Datti, Alessandro;
Wrana, Jeffrey L.;
Cordes, Sabine P.;
Al-awar, Rima;
Han, Hong;
Blencowe, Benjamin J.

Publication type:

Article

Comparative optimization of polysaccharide-based nanoformulations for cardiac RNAi therapy.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49804-x

By:

Gao, Han;
Li, Sen;
Lan, Zhengyi;
Pan, Da;
Naidu, Gonna Somu;
Peer, Dan;
Ye, Chenyi;
Chen, Hangrong;
Ma, Ming;
Liu, Zehua;
Santos, Hélder A.

Publication type:

Article

Prospective de novo drug design with deep interactome learning.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-47613-w

By:

Atz, Kenneth;
Cotos, Leandro;
Isert, Clemens;
Håkansson, Maria;
Focht, Dorota;
Hilleke, Mattis;
Nippa, David F.;
Iff, Michael;
Ledergerber, Jann;
Schiebroek, Carl C. G.;
Romeo, Valentina;
Hiss, Jan A.;
Merk, Daniel;
Schneider, Petra;
Kuhn, Bernd;
Grether, Uwe;
Schneider, Gisbert

Publication type:

Article

In Silico Identification of Novel and Potent Inhibitors Against Mutant BRAF (V600E), MD Simulations, Free Energy Calculations, and Experimental Determination of Binding Affinity.

Published in:

Molecular Informatics, 2025, v. 44, n. 5/6, p. 1, doi. 10.1002/minf.202400372

By:

Yadav, Vikas;
Kashif, Mohammad;
Kamali, Zenab;
Gourinath, Samudrala;
Subbarao, Naidu

Publication type:

Article

CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without Enumeration.

Published in:

Molecular Informatics, 2025, v. 44, n. 3, p. 1, doi. 10.1002/minf.202400263

By:

Pikalyova, Regina;
Akhmetshin, Tagir;
Horvath, Dragos;
Varnek, Alexandre

Publication type:

Article

Ultra‐Large Virtual Screening: Definition, Recent Advances, and Challenges in Drug Design.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400305

By:

Corrêa Veríssimo, Gabriel;
Salgado Ferreira, Rafaela;
Gonçalves Maltarollo, Vinícius

Publication type:

Article

The Chemical Space Spanned by Manually Curated Datasets of Natural and Synthetic Compounds with Activities against SARS‐CoV‐2.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400293

By:

Betow, Jude Y.;
Turon, Gemma;
Metuge, Clovis S.;
Akame, Simeon;
Shu, Vanessa A.;
Ebob, Oyere T.;
Duran‐Frigola, Miquel;
Ntie‐Kang, Fidele

Publication type:

Article

From High Dimensions to Human Insight: Exploring Dimensionality Reduction for Chemical Space Visualization.

Published in:

Molecular Informatics, 2025, v. 44, n. 1, p. 1, doi. 10.1002/minf.202400265

By:

Orlov, Alexey A.;
Akhmetshin, Tagir N.;
Horvath, Dragos;
Marcou, Gilles;
Varnek, Alexandre

Publication type:

Article