Works matching DE "DRUG design"

Results: 5000

Multiple intramolecular triggers converge to preferential G protein coupling in the CB2R.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-60003-0

By:

Morales-Pastor, Adrian;
Miljuš, Tamara;
Dieguez-Eceolaza, Miguel;
Stępniewski, Tomasz Maciej;
Ledesma-Martin, Vicente;
Heydenreich, Franziska M.;
Flock, Tilman;
Plouffe, Bianca;
Le Gouill, Christian;
Duchaine, Jean;
Sykes, David A.;
Nicholson, Colin;
Koers, Eline J.;
Guba, Wolfgang;
Rufer, Arne C.;
Grether, Uwe;
Bouvier, Michel;
Veprintsev, Dmitry B.;
Selent, Jana

Publication type:

Article

Iron(III) Complexes with Substituted Salicylaldehydes: Synthesis, Interaction with DNA and Serum Albumins, and Antioxidant Activity.

Published in:

Molecules, 2025, v. 30, n. 11, p. 2383, doi. 10.3390/molecules30112383

By:

Papadopoulos, Zisis;
Hatzidimitriou, Antonios G.;
Psomas, George

Publication type:

Article

In Silico Identification and Characterization of Spiro[1,2,4]triazolo[1,5- c ]quinazolines as Diacylglycerol Kinase α Modulators.

Published in:

Molecules, 2025, v. 30, n. 11, p. 2324, doi. 10.3390/molecules30112324

By:

Antypenko, Lyudmyla;
Shabelnyk, Kostiantyn;
Antypenko, Oleksii;
Arisawa, Mieko;
Kamyshnyi, Oleksandr;
Oksenych, Valentyn;
Kovalenko, Serhii

Publication type:

Article

Adaptation of the Mitsunobu Reaction for Facile Synthesis of Dorsomorphin-Based Library.

Published in:

Molecules, 2025, v. 30, n. 11, p. 2258, doi. 10.3390/molecules30112258

By:

Novikova, Daria;
Vorona, Svetlana;
Zenina, Anastasiya;
Grigoreva, Tatyana;
Tribulovich, Vyacheslav

Publication type:

Article

M3-20M: A large-scale multi-modal molecule dataset for AI-driven drug design and discovery.

Published in:

Journal of Bioinformatics & Computational Biology, 2025, v. 23, n. 2, p. 1, doi. 10.1142/S0219720025500064

By:

Guo, Siyuan;
Wang, Lexuan;
Jin, Chang;
Wang, Jinxian;
Peng, Han;
Shi, Huayang;
Li, Wengen;
Guan, Jihong;
Zhou, Shuigeng

Publication type:

Article

A 3D generation framework using diffusion model and reinforcement learning to generate multi-target compounds with desired properties.

Published in:

Journal of Cheminformatics, 2025, v. 17, n. 1, p. 1, doi. 10.1186/s13321-025-01035-y

By:

Yuan, Yongna;
Pan, Xiaohang;
Li, Xiaohong;
Zhang, Ruisheng;
Su, Wei

Publication type:

Article

CHEMICAL INSIGHTS: QUANTUM TECHNOLOGY REDEFINES COMPUTATIONAL DRUG DEVELOPMENT.

Published in:

Indian Drugs, 2025, v. 62, n. 3, p. 7, doi. 10.53879/id.62.03.15106

By:

Arora, Mihir;
Tathed, Roshan;
Kulkarni, Preeti;
Ghante, Minal R.;
Sawant, Vasundhara N.

Publication type:

Article

Molecular Recognition of SARS-CoV-2 Mpro Inhibitors: Insights from Cheminformatics and Quantum Chemistry.

Published in:

Molecules, 2025, v. 30, n. 10, p. 2174, doi. 10.3390/molecules30102174

By:

Olosunde, Adedapo;
Hu, Xiche

Publication type:

Article

PROTAC Technology as a New Tool for Modern Pharmacotherapy.

Published in:

Molecules, 2025, v. 30, n. 10, p. 2123, doi. 10.3390/molecules30102123

By:

Kubryń, Natalia;
Fijałkowski, Łukasz;
Nowaczyk, Jacek;
Jamil, Amer;
Nowaczyk, Alicja

Publication type:

Article

Utilizing Molecular Descriptor Importance to Enhance Endpoint Predictions.

Published in:

Toxics, 2025, v. 13, n. 5, p. 383, doi. 10.3390/toxics13050383

By:

Bajželj, Benjamin;
Novič, Marjana;
Drgan, Viktor

Publication type:

Article

IL-1 Superfamily Across 400+ Species: Therapeutic Targets and Disease Implications.

Published in:

Biology (2079-7737), 2025, v. 14, n. 5, p. 561, doi. 10.3390/biology14050561

By:

Wang, Weibin;
Li, Dawei;
Luo, Kaiyong;
Chen, Baozheng;
Hao, Tingting;
Li, Xuzhen;
Guo, Dazhong;
Dong, Yang;
Ning, Ya

Publication type:

Article

Novel Phenoxyacetic Acid (4‐Aminophenoacetic Acid) Shikonin Ester Kills KRAS Mutant Colon Cancer Cells via Targeting the Akt Allosteric Site.

Published in:

Chemical Biology & Drug Design, 2025, v. 105, n. 5, p. 1, doi. 10.1111/cbdd.70125

By:

Ma, Yudi;
Sun, Yuqian;
Tu, Qingqing;
Lin, Faxiang;
Mei, Feng;
Chen, Qingqing;
Fu, Ting;
Yang, Liu;
Lai, Xiaohui;
Yang, Minkai;
Yin, Tongming;
Lu, Guihua;
Qi, Jinliang;
Lin, Hongyan;
Wen, Zhongling;
Yang, Yonghua;
Han, Hongwei

Publication type:

Article

Design, Synthesis, Anticancer Evaluation and Molecular Docking of Pyrimidine, Pyrido[4,3-d]pyrimidine and 5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidine Derivatives as Novel KRAS-G12D Inhibitors and PROTACs.

Published in:

Pharmaceuticals (14248247), 2025, v. 18, n. 5, p. 696, doi. 10.3390/ph18050696

By:

Yang, Hailong;
Gan, Lu;
Zhang, Huabei

Publication type:

Article

Quinoline Quest: Kynurenic Acid Strategies for Next-Generation Therapeutics via Rational Drug Design.

Published in:

Pharmaceuticals (14248247), 2025, v. 18, n. 5, p. 607, doi. 10.3390/ph18050607

By:

Tanaka, Masaru;
Szatmári, István;
Vécsei, László

Publication type:

Article

Integrative Genomic and in Silico Analysis Reveals Mitochondrially Encoded Cytochrome C Oxidase III (MT—CO3) Overexpression and Potential Neem-Derived Inhibitors in Breast Cancer.

Published in:

Genes, 2025, v. 16, n. 5, p. 546, doi. 10.3390/genes16050546

By:

Agboola, Oluwaseun E.;
Agboola, Samuel S.;
Oyinloye, Oluwatoyin M.;
Fadugba, Abimbola E.;
Omolayo, Esther Y.;
Ayinla, Zainab A.;
Osunsanmi, Foluso O.;
Olaiya, Oluranti E.;
Olojo, Folake O.;
Ajiboye, Basiru O.;
Oyinloye, Babatunji E.

Publication type:

Article

In Silico Approach to Design of New Multi-Targeted Inhibitors Based on Quinoline Ring with Potential Anticancer Properties.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 10, p. 4620, doi. 10.3390/ijms26104620

By:

Czyżnikowska, Żaneta;
Mysłek, Martyna;
Marciniak, Aleksandra;
Płaczek, Remigiusz;
Kotynia, Aleksandra;
Krzyżak, Edward

Publication type:

Article

Asymmetric Synthesis of Noradamantane Scaffolds via Diphenylprolinol Silyl Ether‐Mediated Domino Michael/Epimerization/Michael (or Aldol)/1,2‐Addition Reactions.

Published in:

Angewandte Chemie, 2025, v. 137, n. 23, p. 1, doi. 10.1002/ange.202500378

By:

Daskalakis, Konstantinos;
Umekubo, Nariyoshi;
Indu, Satrajit;
Kawauchi, Genki;
Taniguchi, Tohru;
Monde, Kenji;
Hayashi, Yujiro

Publication type:

Article

From Sequence Definition to Structure‐Property Relationships in Discrete Synthetic Macromolecules: Insights from Molecular Modeling.

Published in:

Angewandte Chemie, 2025, v. 137, n. 23, p. 1, doi. 10.1002/ange.202420179

By:

Dellemme, David;
Kardas, Sinan;
Tonneaux, Corentin;
Lernould, Julien;
Fossépré, Mathieu;
Surin, Mathieu

Publication type:

Article

Genetic analysis of glutathione synthetase of Plasmodium falciparum, a potential candidate for antimalarial drug development.

Published in:

ScienceAsia, 2025, v. 51, n. 2, p. 1, doi. 10.2306/scienceasia1513-1874.2025.035

By:

Simpalipan, Phumin;
Pattaradilokrat, Sittiporn;
Sawaswong, Vorthon;
Uthayopas, Korawich;
Phutthawong, Kittima;
Harnyuttanakorn, Pongchai

Publication type:

Article

Genomic Subtypes in Choosing Adjuvant Therapy for Breast Cancer.

Published in:

Oncology (08909091), 2013, v. 27, n. 3, p. 204

By:

Zelnak, Amelia B.;
O'regan, Ruth M.

Publication type:

Article

Announcements.

Published in:: Oncology (08909091), 2007, v. 21, n. 2, p. 160
Publication type:: Article

Using health technology assessment to assess the value of new medicines: results of a systematic review and expert consultation across eight European countries.

Published in:

2018

By:

Angelis, Aris;
Lange, Ansgar;
Kanavos, Panos

Publication type:

journal article

Why trash don't pass? pharmaceutical licensing and safety performance of drugs.

Published in:

2017

By:

Banerjee, Tannista;
Nayak, Arnab

Publication type:

journal article

Antidepresanla Birlikte Atipik Antipsikotik Ekleme Tedavisi Kullanan ve Kullanmayan Obsesif Kompulsif Bozukluk Hastalarında Metabolik Sendrom Sıklığı: Naturalistik, Tanımlayıcı Bir Ön Çalışma

Published in:: Klinik Psikofarmakoloji Bulteni, 2010, v. 20, n. 4, p. 307, doi. 10.1080/10177833.2010.11790677
Publication type:: Article

Sequencing parasite populations.

Published in:

Nature Reviews Microbiology, 2012, v. 10, n. 2, p. 85, doi. 10.1038/nrmicro2738

By:

Sanchez-Flores, Alejandro

Publication type:

Article

Viral shape-shifting: norovirus evasion of the human immune system.

Published in:

Nature Reviews Microbiology, 2010, v. 8, n. 3, p. 231, doi. 10.1038/nrmicro2296

By:

Donaldson, Eric F.;
Lindesmith, Lisa C.;
LoBue, Anna D.;
Baric, Ralph S.

Publication type:

Article

The biology and future prospects of antivirulence therapies.

Published in:

Nature Reviews Microbiology, 2008, v. 6, n. 1, p. 17, doi. 10.1038/nrmicro1818

By:

Cegelski, Lynette;
Marshall, Garland R.;
Eldridge, Gary R.;
Hultgren, Scott J.

Publication type:

Article

Protozoan parasites: Spot the difference.

Published in:

Nature Reviews Microbiology, 2004, v. 2, n. 11, p. 854, doi. 10.1038/nrmicro1033

By:

Saunders, Jane

Publication type:

Article

Antibody-based HIV-1 vaccines: recent developments and future directions.

Published in:

2007

By:

Montefiori, David;
Sattentau, Quentin;
Flores, Jorge;
Esparza, José;
Mascola, John;
Esparza, José;
Working Group convened by the Global HIV Vaccine Enterprise

Publication type:

journal article

Live, attenuated influenza A H5N1 candidate vaccines provide broad cross-protection in mice and ferrets.

Published in:

2006

By:

Suguitan Jr., Amorsolo L.;
McAuliffe, Josephine;
Mills, Kimberly L.;
Hong Jin;
Duke, Greg;
Bin Lu;
Luke, Catherine J.;
Murphy, Brian;
Swayne, David E.;
Kemble, George;
Subbarao, Kanta;
Suguitan, Amorsolo L Jr;
Jin, Hong;
Lu, Bin

Publication type:

journal article

Designing Drugs for Parasitic Diseases of the Developing World.

Published in:

PLoS Medicine, 2005, v. 2, n. 8, p. 712, doi. 10.1371/journal.pmed.0020210

By:

McKerrow, James H.

Publication type:

Article

Letter to the Editor: Acharya Prafulla Chandra Ray, Hydroxychloroquine and COVID-19.

Published in:

2020

By:

Gupta, Nikhil;
Goswami, Binita

Publication type:

Letter

DRUG DESIGN, DEVELOPMENT, AND DELIVERY: An Interdisciplinary Course on Pharmaceuticals.

Published in:

CEE: Chemical Engineering Education, 2011, v. 45, n. 1, p. 47

By:

PRAUSNITZ, MARK R.;
BOMMARIUS, ANDREAS S.

Publication type:

Article

A SIMPLIFIED MODEL OF HUMAN ALCOHOL METABOLISM.

Published in:

CEE: Chemical Engineering Education, 2011, v. 45, n. 1, p. 21

By:

YANG, ALLEN H. J.;
DIMIDUK, KATHRYN;
DANIEL, SUSAN

Publication type:

Article

The Promise of Predictive Modeling in Drug Discovery.

Published in:

Bio-IT World, 2008, v. 7, n. 7, p. 18

By:

MAY, MIKE

Publication type:

Article

Rational Decisions.

Published in:

Bio-IT World, 2004, v. 3, n. 6, p. 94

By:

Garvey, John;
Morency, Michel

Publication type:

Article

Catalytic Asymmetric Synthesis of N−N Biaryl Atropisomers.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 2, p. 1, doi. 10.1002/chem.202303165

By:

Feng, Jia;
Liu, Ren‐Rong

Publication type:

Article

Antimalarial Agents Derived from Metal‐Amodiaquine Complexes with Activity in Multiple Stages of the Plasmodium Life Cycle.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 55, p. 1, doi. 10.1002/chem.202301642

By:

Colina‐Vegas, Legna;
da Cruz B. Silva, Mariana;
de Souza Pereira, Caroline;
Isis Barros, Ariane;
Araújo Nobrega, Joaquim;
Navarro, Maribel;
Rottmann, Matthias;
D'Alessandro, Sarah;
Basilico, Nicoletta;
Azevedo Batista, Alzir;
Moreira, Diogo R. M.

Publication type:

Article

Cover Feature: Exploration of N‐Arylation of Backbone Amides as a Novel Tool for Conformational Modification in Peptides (Chem. Eur. J. 40/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 40, p. 1, doi. 10.1002/chem.202301803

By:

Dangi, Abha;
Kiran Marelli, Udaya

Publication type:

Article

A Late-Stage Aryl C--H Olefination Strategy and Its Application Towards Global Proteome Profiling of Δ8-Tetrahydrocannabinol.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 29, p. 1, doi. 10.1002/chem.202300531

By:

Ying-Jie Lim;
Guanghui Tang;
Zi Ye;
Chong-Jing Zhang;
Jie Wu;
Yao, Shao Q.

Publication type:

Article

Atroposelective Nenitzescu Indole Synthesis.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 25, p. 1, doi. 10.1002/chem.202300279

By:

Thönnißen, Vinzenz;
Atodiresei, Iuliana L.;
Patureau, Frederic W.

Publication type:

Article

Carbotrifluoromethylations of C−C Multiple Bonds (Excluding Aryl‐ and Alkynyltrifluoromethylations).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202203499

By:

Aradi, Klára;
Kiss, Loránd

Publication type:

Article

Frontispiece: New Opportunities for the Utilization of the Sulfoximine Group in Medicinal Chemistry from the Drug Designer's Perspective.

Published in:: Chemistry - A European Journal, 2022, v. 28, n. 56, p. 1, doi. 10.1002/chem.202285661
Publication type:: Article

Optical Modulation of Antibiotic Resistance by Photoswitchable Cystobactamids.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 54, p. 1, doi. 10.1002/chem.202201297

By:

Testolin, Giambattista;
Richter, Jana;
Ritter, Antje;
Prochnow, Hans;
Köhnke, Jesko;
Brönstrup, Mark

Publication type:

Article

Broad‐Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve‐Agent‐Inhibited Acetylcholinesterase.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202200678

By:

Lindgren, Cecilia;
Forsgren, Nina;
Hoster, Norman;
Akfur, Christine;
Artursson, Elisabet;
Edvinsson, Lotta;
Svensson, Richard;
Worek, Franz;
Ekström, Fredrik;
Linusson, Anna

Publication type:

Article

Effect of gem‐Difluorination on the Key Physicochemical Properties Relevant to Medicinal Chemistry: The Case of Functionalized Cycloalkanes.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 19, p. 1, doi. 10.1002/chem.202200331

By:

Holovach, Sergey;
Melnykov, Kostiantyn P.;
Skreminskiy, Artem;
Herasymchuk, Maksym;
Tavlui, Olha;
Aloshyn, Danylo;
Borysko, Petro;
Rozhenko, Alexander B.;
Ryabukhin, Sergey V.;
Volochnyuk, Dmitriy M.;
Grygorenko, Oleksandr O.

Publication type:

Article

Frontispiece: Polymer Nanodiscs and Their Bioanalytical Potential.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 51, p. 1, doi. 10.1002/chem.202185161

By:

Farrelly, Michelle D.;
Martin, Lisandra L.;
Thang, San H.

Publication type:

Article

Polymer Nanodiscs and Their Bioanalytical Potential.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 51, p. 12922, doi. 10.1002/chem.202101572

By:

Farrelly, Michelle D.;
Martin, Lisandra L.;
Thang, San H.

Publication type:

Article

Stable and Storable N(CF3)2 Transfer Reagents.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 42, p. 10973, doi. 10.1002/chem.202101436

By:

Schneider, Leon N.;
Tanzer Krauel, Eva‐Maria;
Deutsch, Carl;
Urbahns, Klaus;
Bischof, Tobias;
Maibom, Kristina A. M.;
Landmann, Johannes;
Keppner, Fabian;
Kerpen, Christoph;
Hailmann, Michael;
Zapf, Ludwig;
Knuplez, Tanja;
Bertermann, Rüdiger;
Ignat'ev, Nikolai V.;
Finze, Maik

Publication type:

Article

Do Sulfonamides Interact with Aromatic Rings?

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 18, p. 5721, doi. 10.1002/chem.202004732

By:

Jian, Jie;
Hammink, Roel;
McKenzie, Christine J.;
Bickelhaupt, F. Matthias;
Poater, Jordi;
Mecinović, Jasmin

Publication type:

Article