Works matching DE "STRUCTURE-activity relationships"

Results: 5000

Structure-specific variation in per- and polyfluoroalkyl substances toxicity among genetically diverse Caenorhabditis elegans strains.

Published in:

Toxicological Sciences, 2025, v. 205, n. 1, p. 205, doi. 10.1093/toxsci/kfaf014

By:

Leuthner, Tess C;
Zhang, Sharon;
Kohrn, Brendan F;
Stapleton, Heather M;
Baugh, L Ryan

Publication type:

Article

Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01501-6

By:

Morese, Pasquale A.;
Ahmad, Ayaz;
Martin, Mathew P.;
Noble, Richard A.;
Pintar, Sara;
Wang, Lan Z.;
Xu, Shangze;
Lister, Andrew;
Ward, Richard A.;
Bronowska, Agnieszka K.;
Noble, Martin E. M.;
Stewart, Hannah L.;
Waring, Michael J.

Publication type:

Article

Dipeptidyl Peptidase-4 Inhibitors: A Systematic Review of Structure-Activity Relationship Studies.

Published in:

IJ Pharmaceutical Research (IJPR), 2024, v. 23, n. 1, p. 1, doi. 10.5812/ijpr-151581

By:

Bayanati, Maryam;
Rabbani, Mohammad Ismail Mahboubi;
Kabiri, Shirin Sirous;
Mir, Bahareh;
Rezaee, Elham;
Tabatabai, Sayyed Abbas

Publication type:

Article

Isolation of Flavonoids from the Potentilla kleiniana and Evaluation of Their α-Glucosidase Inhibitory Activity and Anti-inflammatory Activity.

Published in:

Records of Natural Products, 2025, v. 19, n. 2, p. 187, doi. 10.25135/rnp.499.2412.3392

By:

Qian-Lian Yin;
Qian-Qian Jin;
Li Jiang;
Xue Ma;
Jia Sun;
Yong Huang;
Yong-Jun Li

Publication type:

Article

Applicability of In Silico New Approach Methods for the Risk Assessment of Tattoo Ink Ingredients.

Published in:

Environmental & Molecular Mutagenesis, 2025, v. 66, n. 4, p. 199, doi. 10.1002/em.70010

By:

Pradeep, Prachi;
Seifert, Stefanie;
Singh, Ajay Vikram;
Laux, Peter;
Pirow, Ralph

Publication type:

Article

Preparation of Lignin-like Polymers by Dehydrogenation of Lignin Precursors and Structure-activity Relationships of the Resulting Polymers against Live Cancer HepG2 Cells.

Published in:

BioResources, 2025, v. 20, n. 2, p. 2904, doi. 10.15376/biores.20.2.2904-2921

By:

Boxuan Zhao;
Zhijian Li;
Zhi Wang;
Yunbo Zhao;
Yimin Xie

Publication type:

Article

Design, synthesis, molecular docking and molecular dynamics studies of some 3-methoxy flavone derivatives as an anti-breast cancer agent.

Published in:

Discover Oncology, 2025, v. 16, n. 1, p. 1, doi. 10.1007/s12672-025-02491-6

By:

Fegade, Bharti S.;
Chaudhari, Somadatta Y.;
Likhar, Rupali V.;
Bhole, Ritesh P.;
Uttekar, Pravin S.;
Pathare, Sandeep S.;
Maitra, Swastika;
Uti, Daniel Ejim;
Zaki, Magdi E. A.;
Alum, Esther Ugo

Publication type:

Article

Application of Zagreb Index Models in Predicting the Physicochemical Properties of Unsaturated Fatty acids.

Published in:

Oriental Journal of Chemistry, 2025, v. 41, n. 1, p. 201, doi. 10.13005/ojc/410124

By:

JAINA, PRANAVI;
KUMAR, K. ANIL;
VIJAYASEKHAR, J.

Publication type:

Article

Molecular Docking and In silico Study of Some 3,5-disubstituted-2,4-thiazolidinediones as Antimicrobial Agents.

Published in:

Oriental Journal of Chemistry, 2025, v. 41, n. 1, p. 138, doi. 10.13005/ojc/410116

By:

GALLA, RAJITHA;
PURANAM, LAXMI MADHURI

Publication type:

Article

Synthesis and Biological Screening of Structurally Modified Phaeosphaeride Analogues.

Published in:

Molecules, 2025, v. 30, n. 9, p. 2016, doi. 10.3390/molecules30092016

By:

Rantzios, Konstantinos;
Chatzimentor, Oraia-Eirini;
Leonidis, George;
Giuliani, Jorgo;
Sigala, Ioanna;
Sarli, Vasiliki

Publication type:

Article

A self-conformation-aware pre-training framework for molecular property prediction with substructure interpretability.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-59634-0

By:

Qiao, Jianbo;
Jin, Junru;
Wang, Ding;
Teng, Saisai;
Zhang, Junyu;
Yang, Xuetong;
Liu, Yuhang;
Wang, Yu;
Cui, Lizhen;
Zou, Quan;
Su, Ran;
Wei, Leyi

Publication type:

Article

Comprehensive synthesis and anticoagulant evaluation of a diverse fucoidan library.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-59632-2

By:

Chen, Si-Cong;
Qin, Xianjin;
Xiong, Nanyu;
Lin, Lisha;
Wu, Yanfen;
Li, Qin;
Sun, Dongyue;
Xiong, De-Cai;
Callmann, Cassandra E.;
Wu, Mingyi;
Ye, Xin-Shan

Publication type:

Article

Identifying Key Properties That Drive Redox Mediator Activity in Lactiplantibacillus Plantarum.

Published in:

Angewandte Chemie, 2025, v. 137, n. 19, p. 1, doi. 10.1002/ange.202424867

By:

Blackburn, Benjamin T.;
Alba, Robyn A. C.;
Porokhin, Vladimir O.;
Cai, Rong;
Hatch, Arden;
Hassoun, Soha;
Ajo‐Franklin, Caroline M.;
Mevers, Emily

Publication type:

Article

In‐Cell Fast Photochemical Oxidation Interrogates the Native Structure of Integral Membrane Proteins.

Published in:

Angewandte Chemie, 2025, v. 137, n. 19, p. 1, doi. 10.1002/ange.202424779

By:

Sun, Jie;
Saimi, Mierxiati;
Rempel, Don;
Cao, Qing;
Chai, Mengqi;
Li, Weikai;
Gross, Michael L.

Publication type:

Article

Uptake and localization mechanisms of fluorescent and colored lipid probes. 1. Physicochemistry of probe uptake and localization, and the use of QSAR models for selectivity prediction.

Published in:

Biotechnic & Histochemistry, 2011, v. 86, n. 6, p. 379, doi. 10.3109/10520295.2010.515489

By:

Horobin, RW;
Stockert, JC

Publication type:

Article

Supercritical CO[sub 2] Welding of Laminated Linear Low Density Polyethylene Films.

Published in:

Polymer Engineering & Science, 2001, v. 41, n. 12, p. 2259, doi. 10.1002/pen.10921

By:

Caskey, Terrence;
Lesser, Alan J.;
McCarthy, Thomas J.

Publication type:

Article

Effects of SBS on Phase Morphology of iPP/aPS Blends.

Published in:

Polymer Engineering & Science, 2000, v. 40, n. 10, p. 2144

By:

Smit, I.;
Radonjic, G.

Publication type:

Article

Author Index Volume 20 (2022).

Published in:: Journal of Bioinformatics & Computational Biology, 2022, v. 20, n. 6, p. 1, doi. 10.1142/S0219720022990013
Publication type:: Article

An alignment-independent three-dimensional quantitative structure–activity relationship study on ron receptor tyrosine kinase inhibitors.

Published in:

Journal of Bioinformatics & Computational Biology, 2022, v. 20, n. 3, p. 1, doi. 10.1142/S0219720022500159

By:

Zarei, Omid;
Raeppel, Stéphane L.;
Hamzeh-Mivehroud, Maryam

Publication type:

Article

Quantitative structure–activity relationship modeling reveals the minimal sequence requirement and amino acid preference of sirtuin-1's deacetylation substrates in diabetes mellitus.

Published in:

Journal of Bioinformatics & Computational Biology, 2022, v. 20, n. 3, p. 1, doi. 10.1142/S0219720022500081

By:

Shao, X.;
Kong, W.;
Li, Y.;
Zhang, S.

Publication type:

Article

Toxicity prediction of small drug molecules of androgen receptor using multilevel ensemble model.

Published in:

Journal of Bioinformatics & Computational Biology, 2019, v. 17, n. 5, p. N.PAG, doi. 10.1142/S0219720019500331

By:

Gupta, Vishan Kumar;
Rana, Prashant Singh

Publication type:

Article

PROTEIN STRUCTURE–STRUCTURE ALIGNMENT WITH DISCRETE FRÉCHET DISTANCE.

Published in:

Journal of Bioinformatics & Computational Biology, 2008, v. 6, n. 1, p. 51, doi. 10.1142/S0219720008003278

By:

MINGHUI JIANG;
YING XU;
BINHAI ZHU

Publication type:

Article

Discontinuity adaptive SAR image despeckling using curvelet-based BM3D technique.

Published in:

International Journal of Wavelets, Multiresolution & Information Processing, 2019, v. 17, n. 3, p. N.PAG, doi. 10.1142/S0219691319500164

By:

Devapal, D.;
Kumar, S. S.;
Sethunadh, R.

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

Structure‐Based Development of a Covalent Inhibitor Targeting Streptococcus Pyogenes over Staphylococcus Aureus Sortase A.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 23, p. 1, doi. 10.1002/chem.202500464

By:

Zhou, Hailing;
Yuan, Ziqi;
Guan, Xiang‐Na;
Yue, Chuan;
Wu, Wei;
Lan, Lefu;
Gan, Jianhua;
Zhang, Tao;
Yang, Cai‐Guang

Publication type:

Article

Molecular Structural Control of the Amorphous‐Crystalline Balance in Solids: Structure‐Phase Correlation in DADQs with Enhanced/Switchable Fluorescence.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 13, p. 1, doi. 10.1002/chem.202404709

By:

Maurya, Ritesh Singh;
Radhakrishnan, T. P.

Publication type:

Article

Broken Symmetry and Elastic Frustration in Isostructural MnIII Spin Crossover Crystals.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 9, p. 1, doi. 10.1002/chem.202404044

By:

Kelly, Conor T.;
Jakobsen, Vibe B.;
Jordan, Ross;
Felton, Solveig;
Müller‐Bunz, Helge;
Morgan, Grace G.

Publication type:

Article

Deep‐Ultraviolet Transparent Nonlinear Optical Phosphates: A New Alternative to Conventional Borates.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 8, p. 1, doi. 10.1002/chem.202403991

By:

Zhao, Hua‐Jun;
Zhang, Jia‐Xiang;
Lin, Hua

Publication type:

Article

Tandem Electroreduction of CO2 to C2+ Products Based on M‐SACs/Cu Catalysts.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 3, p. 1, doi. 10.1002/chem.202403297

By:

He, Qizhe;
Li, Ting‐Ting

Publication type:

Article

Total Synthesis of Tosyl‐Samroiyotmycin A and Its Biological Profiling.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 71, p. 1, doi. 10.1002/chem.202403408

By:

Kolb, Benedikt;
Schmid, Fabian;
Weng, Jessica;
Altevogt, Luca;
Pereira Rebelo, Ruben;
Wank, Bianca;
Baro, Angelika;
Zens, Anna;
Shekhar, Aditya;
Bilitewski, Ursula;
Sax, Sibylle;
Wittlin, Sergio;
Taylor, Dale;
Müller, Rudolf;
Laschat, Sabine

Publication type:

Article

Cover Feature: Structure‐Activity Relationship of Fluorinated Benzenesulfonamides as Inhibitors of Amyloid‐β Aggregation (Chem. Eur. J. 58/2024).

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 58, p. 1, doi. 10.1002/chem.202485804

By:

Žvirblis, Mantas;
Sakalauskas, Andrius;
Ali Janvand, Saeid Hadi;
Dudutienė, Virginija;
Žiaunys, Mantas;
Sniečkutė, Rūta;
Otzen, Daniel E.;
Smirnovas, Vytautas;
Matulis, Daumantas

Publication type:

Article

Postsynthetic Modification of Hydrogen‐Bonded Frameworks.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 42, p. 1, doi. 10.1002/chem.202401276

By:

Han, Zongsu;
Wang, Mengmeng;
Shi, Wei

Publication type:

Article

From the Total Synthesis of Semi–Viriditoxin, Semi–Viriditoxic Acid and Dimeric Naphthopyranones to their Biological Activities in Burkitt B Cell Lymphoma.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 25, p. 1, doi. 10.1002/chem.202400559

By:

Weber, Frederike;
Weber, Anja;
Schmitt, Laura;
Lechtenberg, Ilka;
Greb, Julian;
Henßen, Birgit;
Wesselborg, Sebastian;
Pietruszka, Jörg

Publication type:

Article

Deconstructing Best‐in‐Class Neoglycoclusters as a Tool for Dissecting Key Multivalent Processes in Glycosidase Inhibition.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 19, p. 1, doi. 10.1002/chem.202304126

By:

Liang, Yan;
Schettini, Rosaria;
Kern, Nicolas;
Manciocchi, Luca;
Izzo, Irene;
Spichty, Martin;
Bodlenner, Anne;
Compain, Philippe

Publication type:

Article

Structure‐Activity Relationship Study to Develop Peptide Amphiphiles as Species‐Specific Antimicrobials.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 15, p. 1, doi. 10.1002/chem.202303986

By:

Pereira, Aramis J.;
Xing, Huihua;
de Campos, Luana J.;
Seleem, Mohamed A.;
de Oliveira, Kelly M. P.;
Obaro, Stephen K.;
Conda‐Sheridan, Martin

Publication type:

Article

Chemistry and Biology of Podophyllotoxins: An Update.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 4, p. 1, doi. 10.1002/chem.202302595

By:

Hao, Meng;
Xu, Hui

Publication type:

Article

Porphyrin‐based Bi‐MOFs with Enriched Surface Bi Active Sites for Boosting Photocatalytic CO2 Reduction.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 68, p. 1, doi. 10.1002/chem.202302395

By:

Cheng, Mingjie;
Yan, Pengfei;
Zheng, Xiaoli;
Gao, Bo;
Yan, Xinying;
Zhang, Gaoxiang;
Cui, Xiaomin;
Xu, Qun

Publication type:

Article

2D Covalent Organic Frameworks with Kagome Lattice: Synthesis and Applications.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 66, p. 1, doi. 10.1002/chem.202302380

By:

Tu, Jing;
Song, Wen;
Chen, Bo;
Li, Yusen;
Chen, Long

Publication type:

Article

Allosteric Tuning of Caspase‐7: Establishing the Nexus of Structure and Catalytic Power.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 40, p. 1, doi. 10.1002/chem.202300872

By:

Hobbs, Kathryn F.;
Propp, Jonah;
Vance, Nicholas R.;
Kalenkiewicz, Andrew;
Witkin, Katie R.;
Spies, M. Ashley

Publication type:

Article

Front Cover: Allosteric Tuning of Caspase‐7: Establishing the Nexus of Structure and Catalytic Power (Chem. Eur. J. 40/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 40, p. 1, doi. 10.1002/chem.202301620

By:

Hobbs, Kathryn F.;
Propp, Jonah;
Vance, Nicholas R.;
Kalenkiewicz, Andrew;
Witkin, Katie R.;
Ashley Spies, M.

Publication type:

Article

PtII−N‐Heterocyclic Carbene Complexes in Solvent‐Free Alkene Hydrosilylation.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 40, p. 1, doi. 10.1002/chem.202301259

By:

Maliszewski, Benon P.;
Bayrakdar, Tahani A. C. A.;
Lambert, Perrine;
Hamdouna, Lama;
Trivelli, Xavier;
Cavallo, Luigi;
Poater, Albert;
Beliš, Marek;
Lafon, Olivier;
Van Hecke, Kristof;
Ormerod, Dominic;
Cazin, Catherine S. J.;
Nahra, Fady;
Nolan, Steven P.

Publication type:

Article

Nature‐Inspired Chemistry of Complex Alkaloids: Combining Targeted Molecular Networking Approach and Semisynthetic Strategy to Access Rare Communesins in a Marine‐Derived Penicillium expansum.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 38, p. 1, doi. 10.1002/chem.202300103

By:

Hoang, Thi Phuong Thuy;
Roullier, Catherine;
Evanno, Laurent;
Kerzaon, Isabelle;
Gentil, Emmanuel;
Robiou du Pont, Thibaut;
Nazih, El‐Hassane;
Pouchus, Yves François;
Bertrand, Samuel;
Poupon, Erwan;
Grovel, Olivier

Publication type:

Article

Cover Feature: Synthesis and Structure‐Activity Relationship Studies of C(13)‐Desmethylene‐(−)‐Zampanolide Analogs (Chem. Eur. J. 36/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202301652

By:

Brütsch, Tobias M.;
Cotter, Etienne;
Lucena‐Agell, Daniel;
Redondo‐Horcajo, Mariano;
Davies, Carolina;
Pfeiffer, Bernhard;
Pagani, Sandro;
Berardozzi, Simone;
Fernando Díaz, J.;
Miller, John H.;
Altmann, Karl‐Heinz

Publication type:

Article

Synthesis and Structure‐Activity Relationship Studies of C(13)‐Desmethylene‐(−)‐Zampanolide Analogs.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300703

By:

Brütsch, Tobias M.;
Cotter, Etienne;
Lucena‐Agell, Daniel;
Redondo‐Horcajo, Mariano;
Davies, Carolina;
Pfeiffer, Bernhard;
Pagani, Sandro;
Berardozzi, Simone;
Fernando Díaz, J.;
Miller, John H.;
Altmann, Karl‐Heinz

Publication type:

Article

Bioactivities of Triazolium‐Based N‐Heterocyclic Carbene Salts.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 31, p. 1, doi. 10.1002/chem.202203661

By:

Song, Jia;
Zou, Juan;
Jin, Jiamiao;
Lv, Jie;
Mou, Chengli;
Chi, Yonggui Robin

Publication type:

Article

Structural Requirements of a Glycolipid MPIase for Membrane Protein Integration.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 30, p. 1, doi. 10.1002/chem.202300437

By:

Fujikawa, Kohki;
Han, Youjung;
Osawa, Tsukiho;
Mori, Shoko;
Nomura, Kaoru;
Muramoto, Maki;
Nishiyama, Ken‐ichi;
Shimamoto, Keiko

Publication type:

Article

Front Cover: Antimicrobial Conjugated Oligoelectrolytes Containing Triphenylphosphonium Solubilizing Groups (Chem. Eur. J. 26/2023).

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 26, p. 1, doi. 10.1002/chem.202300862

By:

Chan, Samuel J. W.;
Zhang, Kaixi;
Zhu, Ji‐Yu;
Bazan, Guillermo C.

Publication type:

Article

Syntheses and Biofilm Reducing Effects of l‐Dopa‐Derived Analogues of the Fungal Macrocidins A and Z.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 21, p. 1, doi. 10.1002/chem.202203647

By:

Pezolt, Christine;
Karau, Annika;
Schobert, Rainer;
Schrey, Hedda

Publication type:

Article

Reconstructured Electrocatalysts during Oxygen Evolution Reaction under Alkaline Electrolytes.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 13, p. 1, doi. 10.1002/chem.202203073

By:

Jia, Hongnan;
Yao, Na;
Zhu, Juan;
Luo, Wei

Publication type:

Article