Works matching DE "CHEMICAL libraries"

Results: 758

A Greener and Scalable Approach for the Synthesis of MRT67307 and Its AntiInflammatory Activity.

Published in:

Russian Journal of General Chemistry, 2025, v. 95, n. 5, p. 1048, doi. 10.1134/S1070363224613474

By:

Dhavaria, S.;
Maram, K.;
Priya, M. R. Kamala;
Tandon, R.;
Dhiman, M.

Publication type:

Article

The Multifunctional Role of Templates in Chemically Fueled Dynamic Combinatorial Libraries.

Published in:

ChemSystemsChem, 2025, v. 7, n. 3, p. 1, doi. 10.1002/syst.202400087

By:

Kriebisch, Christine M. E.;
Kriebisch, Brigitte A. K.;
Langlais, Juliette;
Maier, Anton S.;
Rieger, Bernhard;
Braun, Dieter;
Boekhoven, Job

Publication type:

Article

Cribado de una quimioteca de fragmentos para la búsqueda de inhibidores contra la acil-homoserina Lactona Sintasa de Acinetobacter baumannii.

Published in:

Acta Pediatrica de Mexico, 2025, v. 46, p. S2

By:

Castillo-Villanueva, Adriana;
Ricardo Pérez-Velázquez, Jesús;
Antonio Oria-Hernández, Jesús;
García-Contreras, Rodolfo

Publication type:

Article

Investigating Natural Product Inhibitors of IKKα: Insights from Integrative In Silico and Experimental Validation.

Published in:

Molecules, 2025, v. 30, n. 9, p. 2025, doi. 10.3390/molecules30092025

By:

Yasir, Muhammad;
Park, Jinyoung;
Han, Eun-Taek;
Han, Jin-Hee;
Park, Won Sun;
Choe, Jongseon;
Chun, Wanjoo

Publication type:

Article

Rational design of allosteric inhibitors targeting C797S mutant EGFR in NSCLC: an integrative in silico and in-vitro study.

Published in:

Frontiers in Oncology, 2025, p. 1, doi. 10.3389/fonc.2025.1590779

By:

Wang, Jian;
Yuan, Feiyang;
Kendre, Mahadevi;
He, Zhijin;
Dong, Shaowei;
Patil, Abhinandan;
Padvi, Kausing

Publication type:

Article

Integrating ensemble machine learning and multi-omics approaches to identify Dp44mT as a novel anti- Candida albicans agent targeting cellular iron homeostasis.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1574990

By:

Chai, Xiaowei;
Jiang, Yuanying;
Lu, Hui;
Huang, Xin

Publication type:

Article

Structural Insights and Drug Repurposing of FDA-Approved Molecules against Human Agmatinase in Cancer Therapy.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 6, p. 767, doi. 10.1142/S2737416524500820

By:

Khan, Zeeshan;
Ikram, Saima;
Ahmad, Jamshaid;
Ur Rehman, Irshad;
Ahsan, Hina;
Ullah, Amin;
Alshaya, Dalal Sulaiman;
Fayad, Eman;
Hassan, Hesham M.;
Eldeen, Muhammad Alaa

Publication type:

Article

Virtual screening and molecular dynamics simulation study of ATP-competitive inhibitors targeting mTOR protein.

Published in:

PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0319608

By:

Jin, Mei-Yu;
Yu, Hao;
Deng, Qiong;
Wang, Zhu;
Wang, Jie-Yan;
Li, Hao-Long;
Liang, Hui

Publication type:

Article

Identification of inhibitors of the SalmonellaFraB deglycase, a drug target.

Published in:

FEBS Open Bio, 2025, v. 15, n. 5, p. 773, doi. 10.1002/2211-5463.70001

By:

Law, Jamison D.;
Gao, Yuan;
Kovvali, Sravya;
Thirugnanasambantham, Pankajavalli;
Wysocki, Vicki H.;
Ahmer, Brian M. M.;
Gopalan, Venkat

Publication type:

Article

Where and how to house big data on small fragments.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-59233-z

By:

Erlanson, Daniel A.;
Burley, Stephen K.;
Fearon, Daren;
Fraser, James S.;
Kreitler, Dale;
Nonato, Maria Cristina;
Sakai, Naoki;
Wollenhaupt, Jan;
Weiss, Manfred S.

Publication type:

Article

Integrating virtual screening and biochemical experimental approach to identify potential anti-cancer agents from drug databank.

Published in:

Journal of Bioinformatics & Computational Biology, 2018, v. 16, n. 3, p. N.PAG, doi. 10.1142/S0219720018500026

By:

Deka, Suman Jyoti;
Roy, Ashalata;
Manna, Debasis;
Trivedi, Vishal

Publication type:

Article

Synthesis of a Library of Terpenoid Alkaloid–Like Compounds Containing Medium‐Sized Rings via Reconstruction of the Humulene Skeleton.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 48, p. 1, doi. 10.1002/chem.202402082

By:

Nishimura, Takehiro;
Shiga, Kosuke;
Sekiya, Mizuki;
Sugawara, Akihiro;
Yonezawa, Takayuki;
Kikuchi, Haruhisa

Publication type:

Article

Chemical Predictive Modelling and Natural Product‐based Divergent Synthesis – Design of Type B PPAPs with Nanomolar Activities against MRSA.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 46, p. 1, doi. 10.1002/chem.202401955

By:

Peslalz, Philipp;
Vorbach, Andreas;
Bleisch, Anton;
Liberini, Elisa;
Kraus, Frank;
Izzo, Flavia;
Brötz‐Oesterhelt, Heike;
Götz, Friedrich;
Plietker, Bernd

Publication type:

Article

Tetrazole‐Functionalized Organoboranes Exhibiting Dynamic Intramolecular N→B‐Coordination and Cyanide‐Selective Anion Binding.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 37, p. 1, doi. 10.1002/chem.202401466

By:

Schepper, Jonas;
Orthaber, Andreas;
Pammer, Frank

Publication type:

Article

Expanding Chemical Frontiers: Approaches for Generating Diverse and Bioactive Natural Product‐Like Compounds Libraries from Extracts.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 26, p. 1, doi. 10.1002/chem.202304166

By:

Beato, Aurélien;
Haudecoeur, Romain;
Boucherle, Benjamin;
Peuchmaur, Marine

Publication type:

Article

Synthesis and Reactivity of Hetero‐Pnictogen Diazonium Analogs Stabilized by Transition Metal Units.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 61, p. 1, doi. 10.1002/chem.202301974

By:

Zimmermann, Lisa;
Riesinger, Christoph;
Balázs, Gábor;
Scheer, Manfred

Publication type:

Article

Tunable Macrocyclic Polyparaphenylene Nanolassos via Copper‐Free Click Chemistry.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300668

By:

Schaub, Tobias A.;
Zieleniewska, Anna;
Kaur, Ramandeep;
Minameyer, Martin;
Yang, Wudi;
Schüßlbauer, Christoph M.;
Zhang, Lina;
Freiberger, Markus;
Zakharov, Lev N.;
Drewello, Thomas;
Dral, Pavlo O.;
Guldi, Dirk M.;
Jasti, Ramesh

Publication type:

Article

Scaffold Remodelling of Diazaspirotricycles Enables Synthesis of Diverse sp3‐Rich Compounds With Distinct Phenotypic Effects.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 26, p. 1, doi. 10.1002/chem.202203992

By:

Okolo, Ephraim A.;
Pahl, Axel;
Sievers, Sonja;
Pask, Christopher M.;
Nelson, Adam;
Marsden, Stephen P.

Publication type:

Article

C−C Coupling through Nitrogen Deletion: Application to Library Synthesis.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 4, p. 1, doi. 10.1002/chem.202203470

By:

Holovach, Serhii;
Melnykov, Kostiantyn P.;
Poroshyn, Illia;
Iminov, Rustam T.;
Dudenko, Dmytro;
Kondratov, Ivan;
Levin, Mark;
Grygorenko, Oleksandr O.

Publication type:

Article

Solid‐State Emission and Aggregate Emission of Aroyl‐ S,N‐Ketene Acetals Are Controlled and Tuned by Their Substitution Pattern.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 61, p. 1, doi. 10.1002/chem.202202579

By:

Biesen, Lukas;
Woschko, Dennis;
Janiak, Christoph;
Müller, Thomas J. J.

Publication type:

Article

Teaching an Old Compound New Tricks: Reversible Transamidation in Maleamic Acids.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202201043

By:

Matysiak, Bartosz M.;
Monreal Santiago, Guillermo;
Otto, Sijbren

Publication type:

Article

Strategic lead compound design and development utilizing computer‐aided drug discovery (CADD) to address herbicide‐resistant Phalaris minor in wheat fields.

Published in:

Pest Management Science, 2025, v. 81, n. 5, p. 2469, doi. 10.1002/ps.8455

By:

Rani, Priyanka;
Rajak, Bikash Kumar;
Mahato, Gopal Kumar;
Rathore, Ravindranath Singh;
Chandra, Girish;
Singh, Durg Vijay

Publication type:

Article

Vertical pathway inhibition of receptor tyrosine kinases and BAD with synergistic efficacy in triple negative breast cancer.

Published in:

NPJ Precision Oncology, 2024, v. 8, n. 1, p. 1, doi. 10.1038/s41698-023-00489-3

By:

Tan, Yan Qin;
Chiou, Yi-Shiou;
Guo, Hui;
Zhang, Shuwei;
Huang, Xiaoming;
Dukanya, Dukanya;
Kumar, Arun M.;
Basappa, Shreeja;
Liu, Suling;
Zhu, Tao;
Basappa, Basappa;
Pandey, Vijay;
Lobie, Peter E.

Publication type:

Article

Flow parallel synthesizer for multiplex synthesis of aryl diazonium libraries via efficient parameter screening.

Published in:

Communications Chemistry, 2021, v. 4, n. 1, p. 1, doi. 10.1038/s42004-021-00490-6

By:

Ahn, Gwang-Noh;
Sharma, Brijesh M.;
Lahore, Santosh;
Yim, Se-Jun;
Vidyacharan, Shinde;
Kim, Dong-Pyo

Publication type:

Article

JEDA: Joint entropy diversity analysis. An information-theoretic method for choosing diverse and representative subsets from combinatorial libraries.

Published in:

Plant Foods for Human Nutrition, 2006, v. 61, n. 3, p. 333, doi. 10.1007/s11030-006-9042-4

By:

Landon, Melissa R.;
Schaus, Scott E.

Publication type:

Article

Rapid discovery of natural skin‐lightening ingredients based on an integrated screening strategy based on molecular docking and zebrafish model.

Published in:

Journal of Cosmetic Dermatology, 2024, v. 23, n. 11, p. 3724, doi. 10.1111/jocd.16439

By:

Su, Yonghui;
Xu, Shanshan;
Hu, Xinqi;
Wang, Ruifen;
Dong, Mengxuan;
Wang, Yihan;
Wang, Songsong;
Zhang, Yougang;
Tian, Qingping;
Han, Liwen

Publication type:

Article

Design and Synthesis of Substituted Anilino 6-(3,4,5-Trimethoxyphenyl)Pteridine Derivatives and Invitro Evaluation as Potential Cytotoxic Agents.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 10, p. 6646, doi. 10.1080/10406638.2023.2282642

By:

Gajula, Shyam Kumar;
Sridhar, Gattu;
Gangarapu, Kiran;
Sambaru, Kalyani;
Nimma, Rameshwar;
Boyapati, Shireesha;
Vasam, Chandrasekhar;
Mavurapu, Satyanarayana

Publication type:

Article

Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro.

Published in:

Polycyclic Aromatic Compounds, 2023, v. 43, n. 3, p. 2459, doi. 10.1080/10406638.2022.2046613

By:

Zothantluanga, James H.;
Abdalla, Mohnad;
Rudrapal, Mithun;
Tian, Qiang;
Chetia, Dipak;
Li, Jin

Publication type:

Article

Transcriptome Analysis of Arabidopsis thaliana Plants Treated with a New Compound Natolen128, Enhancing Salt Stress Tolerance.

Published in:

Plants (2223-7747), 2021, v. 10, n. 5, p. 978, doi. 10.3390/plants10050978

By:

Sako, Kaori;
Van Ha, Chien;
Matsui, Akihiro;
Tanaka, Maho;
Sato, Ayato;
Seki, Motoaki;
Pál, Magda

Publication type:

Article

Optimization of Reaction Conditions for On‐DNA Synthesis of Ureas, Thioureas, and Sulfonamides.

Published in:

Asian Journal of Organic Chemistry, 2025, v. 14, n. 2, p. 1, doi. 10.1002/ajoc.202400556

By:

Migliorini, Francesca;
Ciamarone, Andrea;
Neri, Dario;
Cazzamalli, Samuele;
Favalli, Nicholas

Publication type:

Article

Recent Advances in Synthesis of Enantioenriched 2‐Substituted Piperidine Derivatives.

Published in:

Asian Journal of Organic Chemistry, 2024, v. 13, n. 10, p. 1, doi. 10.1002/ajoc.202400257

By:

R, Balaji;
David, A. John;
Das, Anjan

Publication type:

Article

Allosteric modulation of the CXCR4:CXCL12 axis by targeting receptor nanoclustering via the TMV-TMVI domain.

Published in:

eLife, 2024, p. 1, doi. 10.7554/eLife.93968

By:

García-Cuesta, Eva M.;
Martínez, Pablo;
Selvaraju, Karthik;
Ulltjärn, Gabriel;
Gómez Pozo, Adrián Miguel;
D'Agostino, Gianluca;
Gardeta, Sofia;
Quijada-Freire, Adriana;
Blanco Gabella, Patricia;
Roca, Carlos;
del Hoyo, Daniel;
Jiménez-Saiz, Rodrigo;
García-Rubia, Alfonso;
Soler Palacios, Blanca;
Lucas, Pilar;
Ayala-Bueno, Rosa;
Santander Acerete, Noelia;
Carrasco, Yolanda;
Sorzano, Carlos Oscar;
Martinez, Ana

Publication type:

Article

Leveraging genetic diversity to identify small molecules that reverse mouse skeletal muscle insulin resistance.

Published in:

eLife, 2023, p. 1, doi. 10.7554/eLife.86961

By:

Masson, Stewart W. C.;
Madsen, Søren;
Cooke, Kristen C.;
Potter, Meg;
Vegas, Alexis Diaz;
Carroll, Luke;
Thillainadesan, Senthil;
Cutler, Harry B.;
Walder, Ken R.;
Cooney, Gregory J.;
Morahan, Grant;
Stöckli, Jacqueline;
James, David E.

Publication type:

Article

An assessment of AcquireX and Compound Discoverer software 3.3 for non-targeted metabolomics.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-55356-3

By:

Cooper, Bret;
Yang, Ronghui

Publication type:

Article

Discovery of a cystathionine γ-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5′-phosphate (PLP) via Schiff base formation.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-43536-6

By:

Echizen, Honami;
Hanaoka, Kenjiro;
Shimamoto, Kazuhito;
Hibi, Ryota;
Toma-Fukai, Sachiko;
Ohno, Hisashi;
Sasaki, Eita;
Komatsu, Toru;
Ueno, Tasuku;
Tsuchiya, Yukihiro;
Watanabe, Yasuo;
Otsuka, Takao;
Saito, Hiroaki;
Nagatoishi, Satoru;
Tsumoto, Kouhei;
Kojima, Hirotatsu;
Okabe, Takayoshi;
Shimizu, Toshiyuki;
Urano, Yasuteru

Publication type:

Article

Discovery of a cystathionine γ-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5′-phosphate (PLP) via Schiff base formation.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-43536-6

By:

Echizen, Honami;
Hanaoka, Kenjiro;
Shimamoto, Kazuhito;
Hibi, Ryota;
Toma-Fukai, Sachiko;
Ohno, Hisashi;
Sasaki, Eita;
Komatsu, Toru;
Ueno, Tasuku;
Tsuchiya, Yukihiro;
Watanabe, Yasuo;
Otsuka, Takao;
Saito, Hiroaki;
Nagatoishi, Satoru;
Tsumoto, Kouhei;
Kojima, Hirotatsu;
Okabe, Takayoshi;
Shimizu, Toshiyuki;
Urano, Yasuteru

Publication type:

Article

ARL-17477 is a dual inhibitor of NOS1 and the autophagic-lysosomal system that prevents tumor growth in vitro and in vivo.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-37797-4

By:

Nomura, Teiko Komori;
Endo, Satoshi;
Kuwano, Takuma;
Fukasawa, Kazuya;
Takashima, Shigeo;
Todo, Tomoki;
Furuta, Kyoji;
Yamamoto, Takuhei;
Hinoi, Eiichi;
Koyama, Hiroko;
Honda, Ryo

Publication type:

Article

Inhibition of adenovirus transport from the endosome to the cell nucleus by rotenone.

Published in:

Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2023.1293296

By:

Balsera-Manzanero, María;
Ghirga, Francesca;
Ruiz-Molina, Ana;
Mori, Mattia;
Pachón, Jerónimo;
Botta, Bruno;
Cordero, Elisa;
Quaglio, Deborah;
Sánchez-Céspedes, Javier

Publication type:

Article

Design of a multi-target focused library for antidiabetic targets using a comprehensive set of chemical transformation rules.

Published in:

Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1276444

By:

Saldívar-González, Fernanda I.;
Navarrete-Vázquez, Gabriel;
Medina-Franco, José L.

Publication type:

Article

MBC and ECBL libraries: outstanding tools for drug discovery.

Published in:

Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1244317

By:

Ginex, Tiziana;
Madruga, Enrique;
Martinez, Ana;
Gil, Carmen

Publication type:

Article

CL-705G: a novel chemical Kir6.2-specific KATP channel opener.

Published in:

Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1197257

By:

Gando, Ivan;
Flores, Manuel Becerra;
I.-Shan Chen;
Hua-Qian Yang;
Nakamura, Tomoe Y.;
Cardozo, Timothy J.;
Coetzee, William A.

Publication type:

Article

Sanguinarine Inhibits the 2-Ketogluconate Pathway of Glucose Utilization in Pseudomonas aeruginosa.

Published in:

Frontiers in Microbiology, 2021, v. 12, p. 1, doi. 10.3389/fmicb.2021.744458

By:

Falchi, Federica A.;
Borlotti, Giorgia;
Ferretti, Francesco;
Pellegrino, Gianvito;
Raneri, Matteo;
Schiavoni, Marco;
Caselli, Alessandro;
Briani, Federica

Publication type:

Article

Identification of Off-Patent Compounds That Present Antifungal Activity Against the Emerging Fungal Pathogen Candida auris.

Published in:

Frontiers in Cellular & Infection Microbiology, 2019, v. 9, p. N.PAG, doi. 10.3389/fcimb.2019.00083

By:

de Oliveira, Haroldo Cesar;
Monteiro, Maria Candida;
Rossi, Suélen Andreia;
Pemán, Javier;
Ruiz-Gaitán, Alba;
Mendes-Giannini, Maria José Soares;
Mellado, Emilia;
Zaragoza, Oscar

Publication type:

Article

Comparative study on ginsenosides of ginsengs from different regions.

Published in:

Journal of Chinese Pharmaceutical Sciences, 2023, v. 32, n. 12, p. 961, doi. 10.5246/jcps.2023.12.077

By:

Yizheng Sun;
Ying Qu;
Xiaoyan Liu;
Wei Xu;
Youbo Zhang

Publication type:

Article

The rise, fall and revival of combinatorial chemistry.

Published in:: Nachrichten aus der Chemie, 2022, v. 70, n. 9, p. 70, doi. 10.1002/nadc.20224127280
Publication type:: Article

Trendbericht Biochemie 2022: Späte Funktionalisierung mit Biokatalysatoren aus Naturstoffsynthesen.

Published in:

Nachrichten aus der Chemie, 2022, v. 70, n. 7/8, p. 62, doi. 10.1002/nadc.20224127080

By:

Haslinger, Kristina;
Schmidt, Sandy

Publication type:

Article

Synthesis of Ugi-4CR boronate analogues via microwave irradiation.

Published in:

Research on Chemical Intermediates, 2017, v. 43, n. 6, p. 3585, doi. 10.1007/s11164-016-2433-y

By:

Hsiao, Chao-Yu;
Huang, Shi-Qing;
Lien, Wan-Hsing;
Hsu, Chen-Yun;
Hsieh, Kun-lin;
Lin, Meng-Hsuan;
Wu, Meng-Ju;
Fu, Chia-Chieh;
Chen, Hsien-Chi;
Fang, Hao-Ping;
Li, Chia-Jung;
Pan, Po-Shen

Publication type:

Article

SNX8 enables lysosome reformation and reverses lysosomal storage disorder.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46705-x

By:

Li, Xinran;
Xiang, Cong;
Zhu, Shilei;
Guo, Jiansheng;
Liu, Chang;
Wang, Ailian;
Cao, Jin;
Lu, Yan;
Neculai, Dante;
Xu, Pinglong;
Feng, Xin-Hua

Publication type:

Article

High-throughput screening of BAM inhibitors in native membrane environment.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41445-w

By:

Rath, Parthasarathi;
Hermann, Adrian;
Schaefer, Ramona;
Agustoni, Elia;
Vonach, Jean-Marie;
Siegrist, Martin;
Miscenic, Christian;
Tschumi, Andreas;
Roth, Doris;
Bieniossek, Christoph;
Hiller, Sebastian

Publication type:

Article

Simultaneous inhibition of DNA-PK and Polϴ improves integration efficiency and precision of genome editing.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-40344-4

By:

Wimberger, Sandra;
Akrap, Nina;
Firth, Mike;
Brengdahl, Johan;
Engberg, Susanna;
Schwinn, Marie K.;
Slater, Michael R.;
Lundin, Anders;
Hsieh, Pei-Pei;
Li, Songyuan;
Cerboni, Silvia;
Sumner, Jonathan;
Bestas, Burcu;
Schiffthaler, Bastian;
Magnusson, Björn;
Di Castro, Silvio;
Iyer, Preeti;
Bohlooly-Y, Mohammad;
Machleidt, Thomas;
Rees, Steve

Publication type:

Article