Works matching DE "STRUCTURE-activity relationships"

Results: 5000

Insight into the in Silico Structural, Physicochemical, Pharmacokinetic and Toxicological Properties of Antibacterially Active Viniferins and Viniferin-Based Compounds as Derivatives of Resveratrol Containing a (2,3-Dihydro)benzo[ b ]furan Privileged Scaffold

Published in:

Applied Sciences (2076-3417), 2025, v. 15, n. 15, p. 8350, doi. 10.3390/app15158350

By:

Nádaská, Dominika;
Malík, Ivan

Publication type:

Article

Modular Assembly of B(III)‐Coordinated Fluorophores with Quantitatively Predictable Photoinduced Electron Transfer for Chemosensing and Bioimaging.

Published in:

Angewandte Chemie, 2025, v. 137, n. 33, p. 1, doi. 10.1002/ange.202509567

By:

Li, Heng;
Guo, Luying;
Miao, Wei;
Wang, Zhaoyun;
Kang, Zhengxin;
Wang, Shaozhen;
Guo, Xing;
Yu, ChangJiang;
Jiao, Lijuan;
Hao, Erhong

Publication type:

Article

Discovery of novel herbicidal cyclic keto‐enol derivatives containing a pyridazinone moiety and their structure–activity relationship studies on weeds.

Published in:

Pest Management Science, 2025, v. 81, n. 9, p. 5727, doi. 10.1002/ps.8925

By:

Jin, Yoshinobu;
Kiji, Toshiyuki;
Yamato, Seiji

Publication type:

Article

Understanding the Role of Morphology in the Direct Synthesis of Diethyl Carbonate Over Ceria‐Based Catalysts: An In Situ Infrared and High‐Resolution TEM Study.

Published in:

ChemCatChem, 2025, v. 17, n. 15, p. 1, doi. 10.1002/cctc.202500140

By:

Arduino, Mara;
Sartoretti, Enrico;
Calì, Eleonora;
Bensaid, Samir;
Deorsola, Fabio Alessandro

Publication type:

Article

Recent advances in polysaccharides derived from the Dendrobium nobile Lindl.: preparation strategies, structural characteristics, biological activity, and structure-activity relationships.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1631637

By:

Zhou, Xiao;
Bi, Haizheng;
Zhang, Zhaojiong;
Wang, Xingyu;
Zhang, Mengru;
Wang, Meng

Publication type:

Article

SYNTHESIS OF NEW NITROGEN BRIDGED OXINDOLE AND ITS DERIVATIVES: A REVIEW OF RECENT PROGRESS IN BIOLOGICAL ACTIVITIES.

Published in:

Pharma Science Monitor, 2025, v. 16, n. 2, p. 1

By:

Korat, Haresh;
Gorasiya, Purvisha;
Kasar, Sujata;
Akbari, Bhavesh;
Korat, Rashmi;
Shah, Birenkumar

Publication type:

Article

Reticular Synthesis of 3D Metal Cluster‐Based COFs With Record High‐Connectivity for Efficient Photocatalytic H<sub>2</sub>O<sub>2</sub> Synthesis.

Published in:

Angewandte Chemie, 2025, v. 137, n. 32, p. 1, doi. 10.1002/ange.202507624

By:

Zhang, Mi;
Huang, Pei;
Li, Run‐Han;
Huang, Ying‐Ying;
Qin, Ming‐Hao;
Peng, Yan‐Yu;
Wang, Si‐Miao;
Yan, Yong;
Lu, Meng;
Lan, Ya‐Qian

Publication type:

Article

A database of steric and electronic properties of heteroaryl substituents.

Published in:

Scientific Data, 2025, v. 12, n. 1, p. 1, doi. 10.1038/s41597-025-05198-z

By:

Alturaifi, Turki M.;
Scofield, Grace E.;
Wang, Shengchun;
Liu, Peng

Publication type:

Article

Connecting chemical structure to single cell signaling profiles.

Published in:

Communications Biology, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42003-025-08545-3

By:

Thirman, Hannah L.;
Grider-Hayes, Madeline J.;
Geben, Laura C.;
Ihrie, Rebecca A.;
Brown, Lauren E.;
Porco Jr, John A.;
Irish, Jonathan M.

Publication type:

Article

Advances in the application of NMR to the study of GPCRs and ligand–GPCR interactions.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 8, p. 973, doi. 10.1080/17460441.2025.2515045

By:

Alimowska, Olga A.;
Khan, Afnan;
Prosser, R. Scott

Publication type:

Article

Phase‐Controlled Pd─S Nanosheet Aerogels for Electrocatalytic Upgrading of Waste Plastics.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 30, p. 1, doi. 10.1002/adfm.202500254

By:

Guan, Liheng;
Huang, Zhen;
Zhu, Ting;
Wang, Zhenyu;
Huang, Wei‐Hsiang;
Chang, Chun‐Chi;
Yeh, Min‐Hsin;
Osella, Silvio;
Zhang, Nan;
Liu, Tianxi

Publication type:

Article

QSPR 法を用いたアルミナ分散樹脂低粘度化のための表面改質剤選定.

Published in:

Journal of the Society of Powder Technology, Japan, 2025, v. 62, n. 7, p. 404, doi. 10.4164/sptj.62.404

By:

前川諒介;
中吉遥奈;
河野誠;
高井千加

Publication type:

Article

Synthesis of Analogues of Cercidin, an Antimicrobial Compound of Cercidiphyllum japonicum : Glycosylation of Methyl Gallate with Ulosyl Bromides.

Published in:

Natural Product Communications, 2025, v. 20, n. 6, p. 1, doi. 10.1177/1934578X251346329

By:

Cuny, Eckehard

Publication type:

Article

Talking trash.

Published in:

Sciences, 1995, v. 35, n. 3, p. 8, doi. 10.1002/j.2326-1951.1995.tb03627.x

By:

Buchbinder, Hayley

Publication type:

Article

Pharmacological Properties of Pt(II) and Pt(IV) Complexes with 2,2′-Dipyridylamine; the Comparative In Vitro Thereof.

Published in:

Cell Biochemistry & Biophysics, 2020, v. 78, n. 4, p. 521, doi. 10.1007/s12013-020-00937-y

By:

Aghmasheh, Simin;
Ostad, S. Nasser;
Abedi, Anita

Publication type:

Article

Vanadium Compounds as Biocatalyst Models.

Published in:

Biological Trace Element Research, 2020, v. 195, n. 2, p. 725, doi. 10.1007/s12011-019-01874-5

By:

Parente, Juliana E.;
Williams, Patricia A. M.;
Ferrer, Evelina G.

Publication type:

Article

Cytochalasans produced by Xylaria karyophthora and their biological activities.

Published in:

Mycologia, 2023, v. 115, n. 3, p. 277, doi. 10.1080/00275514.2023.2188868

By:

Lambert, Christopher;
Shao, Lulu;
Zeng, Haoxuan;
Surup, Frank;
Saetang, Praphatsorn;
Aime, Mary Catherine;
Husbands, Dillon R.;
Rottner, Klemens;
Stradal, Theresia E. B.;
Stadler, Marc

Publication type:

Article

Designing molecular protection: new paradigm for developing corrosion resistant materials uniting high throughput studies, multiscale modelling and self-repair.

Published in:

Corrosion Engineering, Science & Technology, 2014, v. 49, n. 2, p. 109, doi. 10.1179/1743278213Y.0000000119

By:

Cole, I. S.;
Hughes, A. E.

Publication type:

Article

An accurate QSRR model for the prediction of the GC×GC–TOFMS retention time of polychlorinated biphenyl (PCB) congeners.

Published in:

Analytical & Bioanalytical Chemistry, 2007, v. 388, n. 1, p. 165, doi. 10.1007/s00216-007-1188-0

By:

Yueying Ren;
Huanxiang Liu;
Xiaojun Yao;
Mancang Liu

Publication type:

Article

Valency-Based Topological Properties of Linear Hexagonal Chain and Hammer-Like Benzenoid.

Published in:

Complexity, 2021, p. 1, doi. 10.1155/2021/9939469

By:

Li, Yi-Xia;
Rauf, Abdul;
Naeem, Muhammad;
Binyamin, Muhammad Ahsan;
Aslam, Adnan

Publication type:

Article

Micromechanical Behavior of HTPB Propellant Bonding Interface under Uniaxial Tensile Loading.

Published in:

Propellants, Explosives, Pyrotechnics, 2022, v. 47, n. 10, p. 1, doi. 10.1002/prep.202200106

By:

Pei, Shu‐di;
Qiang, Hong‐fu;
Wang, Xue‐ren;
Wang, Jia‐xiang;
Li, Shi‐qi

Publication type:

Article

Design of Antimicrobial Polymers.

Published in:

Macromolecular Chemistry & Physics, 2023, v. 224, n. 3, p. 1, doi. 10.1002/macp.202200226

By:

Pham, Phuong;
Oliver, Susan;
Boyer, Cyrille

Publication type:

Article

Using quantitative structure‐activity relationship models to predict protein properties for chromatographic separation of host cell proteins.

Published in:

Chemie Ingenieur Technik (CIT), 2018, v. 90, n. 9, p. 1300, doi. 10.1002/cite.201855364

By:

Jäpel, R. C.;
Müschen, C.;
von Lieres, E.;
Buyel, J. F.

Publication type:

Article

Prediction of the onset temperature of decomposition of lubricant additives.

Published in:

Journal of Thermal Analysis & Calorimetry, 2017, v. 130, n. 2, p. 943, doi. 10.1007/s10973-017-6511-1

By:

Yu, Xinliang;
Huang, Lei

Publication type:

Article

Metal catalysts for carbon nanotube growth: synthesis, catalytic mechanisms, and evolution pathways.

Published in:

Journal of Materials Science, 2025, v. 60, n. 29, p. 12248, doi. 10.1007/s10853-025-11172-2

By:

Wang, Peng;
Lu, Mingcheng;
Gao, Chenyu;
Dong, Qianpeng;
Jiang, Rongfeng;
Chu, Dianming;
Bai, Wenjuan;
He, Yan

Publication type:

Article

A mechanistic perspective on atom transfer radical polymerization.

Published in:

Polymer International, 2021, v. 70, n. 7, p. 918, doi. 10.1002/pi.6130

By:

Fung, Alfred KK;
Coote, Michelle L

Publication type:

Article

Structure-property relationships in polyhydroxyurethanes produced from terephthaloyl dicyclocarbonate with various polyamines.

Published in:

Polymer International, 2012, v. 61, n. 11, p. 1666, doi. 10.1002/pi.4257

By:

Benyahya, Sofia;
Habas, Jean-Pierre;
Auvergne, Rémi;
Lapinte, Vincent;
Caillol, Sylvain

Publication type:

Article

Comparative study on the free radical scavenging mechanism exerted by geraniol and geranylacetone using the combined experimental and theoretical approach.

Published in:

Flavour & Fragrance Journal, 2015, v. 30, n. 5, p. 399, doi. 10.1002/ffj.3256

By:

Stobiecka, Agnieszka

Publication type:

Article

p-Menthandiol-vanillin acetals: synthesis and study of their chemo-sensorial properties.

Published in:

Flavour & Fragrance Journal, 2014, v. 29, n. 2, p. 121, doi. 10.1002/ffj.3187

By:

Serra, Stefano;
Cominetti, Alessandra A.;
Gatti, Francesco G.;
Lavanga, Davide;
Ottolina, Gianluca

Publication type:

Article

Comparison of two kinds of Agrocybe cylindracea polysaccharides: Structural characteristic and antitumor activity.

Published in:

Food & Bioproducts Processing: Transactions of the Institution of Chemical Engineers Part C, 2023, v. 140, p. 160, doi. 10.1016/j.fbp.2023.06.001

By:

Chao Liu;
Ke-yao Dai;
Zhen-tong Li;
An-jun Liu

Publication type:

Article

Molluscicides against the snail-intermediate host of Schistosoma: a review.

Published in:

Parasitology Research, 2021, v. 120, n. 10, p. 3355, doi. 10.1007/s00436-021-07288-4

By:

Zheng, Lvyin;
Deng, Ling;
Zhong, Yumei;
Wang, Yatang;
Guo, Wei;
Fan, Xiaolin

Publication type:

Article

Anthelmintic efficacy of natural saponins against Gyrodactylus kobayashii in goldfish (Carassius auratus) and their 3D-QSAR analysis.

Published in:

Parasitology Research, 2021, v. 120, n. 3, p. 1143, doi. 10.1007/s00436-020-07043-1

By:

Zhou, Shun;
Dong, Jing;
Liu, Yongtao;
Yang, Qiuhong;
Xu, Ning;
Yang, Yibin;
Ai, Xiaohui

Publication type:

Article

Imidazole derivatives as antiparasitic agents and use of molecular modeling to investigate the structure–activity relationship.

Published in:

Parasitology Research, 2020, v. 119, n. 6, p. 1925, doi. 10.1007/s00436-020-06668-6

By:

Adeyemi, Oluyomi Stephen;
Eseola, Abiodun Omokehinde;
Plass, Winfried;
Atolani, Olubunmi;
Sugi, Tatsuki;
Han, Yongmei;
Batiha, Gaber El-saber;
Kato, Kentaro;
Awakan, Oluwakemi Josephine;
Olaolu, Tomilola Debby;
Nwonuma, Charles Obiora;
Alejolowo, Omokolade;
Owolabi, Akinyomade;
Rotimi, Damilare;
Kayode, Omowumi Titilola

Publication type:

Article

Oxathiazinane derivatives display both antineoplastic and antibacterial activity: a structure activity study.

Published in:

Journal of Cancer Research & Clinical Oncology, 2023, v. 149, n. 11, p. 9071, doi. 10.1007/s00432-023-04799-8

By:

Majchrzak-Stiller, B.;
Buchholz, M.;
Peters, I.;
Strotmann, J.;
Möhrke, J.;
Zelichowski, L.;
Oehlke, L.;
Quensel, C.;
Fein, D.;
Höhn, P.;
Müller, T.;
Uhl, W.;
Braumann, C.

Publication type:

Article

Forensic evaluation of the AmpFℓSTR Identifiler kit in nine Mexican native populations from the pre-Columbian Mesoamerican region.

Published in:

International Journal of Legal Medicine, 2014, v. 128, n. 3, p. 467, doi. 10.1007/s00414-013-0956-y

By:

Rangel-Villalobos, Héctor;
Muñoz-Rivas, C.;
Martínez-Sevilla, V.;
Nuño-Arana, I.;
Rubi-Castellanos, R.;
Martínez-Cortés, G.

Publication type:

Article

Synthesis of Novel C/D Ring Modified Bile Acids.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2364, doi. 10.3390/molecules27072364

By:

Landaeta Aponte, Roselis A.;
Luxenburger, Andreas;
Cameron, Scott A.;
Weymouth-Wilson, Alex;
Furneaux, Richard H.;
Harris, Lawrence D.;
Compton, Benjamin J.

Publication type:

Article

The Potential of 2-Substituted Quinolines as Antileishmanial Drug Candidates.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2313, doi. 10.3390/molecules27072313

By:

Loiseau, Philippe M.;
Balaraman, Kaluvu;
Barratt, Gillian;
Pomel, Sébastien;
Durand, Rémy;
Frézard, Frédéric;
Figadère, Bruno

Publication type:

Article

Screening and Structure–Activity Relationship of D2AAK1 Derivatives for Potential Application in the Treatment of Neurodegenerative Diseases.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2239, doi. 10.3390/molecules27072239

By:

Koszła, Oliwia;
Sołek, Przemysław;
Stępnicki, Piotr;
Kaczor, Agnieszka A.

Publication type:

Article

Potential Therapeutic Target Protein Tyrosine Phosphatase-1B for Modulation of Insulin Resistance with Polyphenols and Its Quantitative Structure–Activity Relationship.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2212, doi. 10.3390/molecules27072212

By:

Rath, Prangya;
Ranjan, Anuj;
Ghosh, Arabinda;
Chauhan, Abhishek;
Gurnani, Manisha;
Tuli, Hardeep Singh;
Habeeballah, Hamza;
Alkhanani, Mustfa F.;
Haque, Shafiul;
Dhama, Kuldeep;
Verma, Naval Kumar;
Jindal, Tanu

Publication type:

Article

Pentacyclic Triterpenoids from Sabia discolor Dunn and Their α -Glycosidase Inhibitory Activities.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2161, doi. 10.3390/molecules27072161

By:

Ma, Jin-Hong;
Hu, Dan;
Deng, Lu-Lu;
Li, Jiang;
Hao, Xiao-Jiang;
Mu, Shu-Zhen

Publication type:

Article

Isolation of a Melanoblast Stimulator from Dimocarpus longan , Its Structural Modification, and Structure–Activity Relationships for Vitiligo.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2135, doi. 10.3390/molecules27072135

By:

Song, Jae-Won;
Choi, Sunju;
Kim, Gayeong;
Lee, Hyang Bok;
Rao, P. Sankara;
Shin, Jeonghyun;
Kim, Eun Ki;
Cho, Dong-Gyu

Publication type:

Article

Inhibition of Aldose Reductase by Ginsenoside Derivatives via a Specific Structure Activity Relationship with Kinetics Mechanism and Molecular Docking Study.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2134, doi. 10.3390/molecules27072134

By:

Ali, Md Yousof;
Zaib, Sumera;
Jannat, Susoma;
Khan, Imtiaz;
Rahman, M. Mizanur;
Park, Seong Kyu;
Chang, Mun Seog

Publication type:

Article

Hybrid Classification/Regression Approach to QSAR Modeling of Stoichiometric Antiradical Capacity Assays' Endpoints.

Published in:

Molecules, 2022, v. 27, n. 7, p. 2084, doi. 10.3390/molecules27072084

By:

Alov, Petko;
Tsakovska, Ivanka;
Pajeva, Ilza

Publication type:

Article

Discovery of a New Drug-like Series of OGT Inhibitors by Virtual Screening.

Published in:

Molecules, 2022, v. 27, n. 6, p. 1996, doi. 10.3390/molecules27061996

By:

Loi, Elena M.;
Tomašič, Tihomir;
Balsollier, Cyril;
van Eekelen, Kevin;
Weiss, Matjaž;
Gobec, Martina;
Alteen, Matthew G.;
Vocadlo, David J.;
Pieters, Roland J.;
Anderluh, Marko

Publication type:

Article

Hydroxypyridinone-Based Metal Chelators towards Ecotoxicity: Remediation and Biological Mechanisms.

Published in:

Molecules, 2022, v. 27, n. 6, p. 1966, doi. 10.3390/molecules27061966

By:

Santos, M. Amélia;
Irto, Anna;
Buglyó, Péter;
Chaves, Sílvia

Publication type:

Article

Synthesis and Investigation of Flavanone Derivatives as Potential New Anti-Inflammatory Agents.

Published in:

Molecules, 2022, v. 27, n. 6, p. 1781, doi. 10.3390/molecules27061781

By:

Sinyeue, Cynthia;
Matsui, Mariko;
Oelgemöller, Michael;
Bregier, Frédérique;
Chaleix, Vincent;
Sol, Vincent;
Lebouvier, Nicolas

Publication type:

Article

Structural Characterization and Assessment of Anti-Inflammatory Activities of Polyphenols and Depsidone Derivatives from Melastoma malabathricum subsp. normale.

Published in:

Molecules, 2022, v. 27, n. 5, p. 1521, doi. 10.3390/molecules27051521

By:

He, Rui-Jie;
Wang, Ya-Feng;
Yang, Bing-Yuan;
Liu, Zhang-Bin;
Li, Dian-Peng;
Zou, Bi-Qun;
Huang, Yong-Lin

Publication type:

Article

Synthesis and Structure–Activity Relationship of Thioacetamide-Triazoles against Escherichia coli.

Published in:

Molecules, 2022, v. 27, n. 5, p. 1518, doi. 10.3390/molecules27051518

By:

Dharuman, Suresh;
Wallace, Miranda J.;
Reeve, Stephanie M.;
Bulitta, Jürgen B.;
Lee, Richard E.

Publication type:

Article

Structure–Activity Relationship of the Thiacalix[4]arenes Family with Sulfobetaine Fragments: Self-Assembly and Cytotoxic Effect against Cancer Cell Lines.

Published in:

Molecules, 2022, v. 27, n. 4, p. 1364, doi. 10.3390/molecules27041364

By:

Yakimova, Luidmila;
Kunafina, Aisylu;
Nugmanova, Aigul;
Padnya, Pavel;
Voloshina, Alexandra;
Petrov, Konstantin;
Stoikov, Ivan

Publication type:

Article

Synthesis and Structure–Activity Relationship Studies of Benzimidazole-4,7-dione-Based P2X3 Receptor Antagonists as Novel Anti-Nociceptive Agents.

Published in:

Molecules, 2022, v. 27, n. 4, p. 1337, doi. 10.3390/molecules27041337

By:

Bae, Jinsu;
Kim, Yeo-Ok;
Han, Xuehao;
Yoon, Myung-Ha;
Kim, Woong-Mo;
Kim, Yong-Chul

Publication type:

Article