Search Results - "structure–activity relationship"

Crystal structures of T. b. rhodesiense adenosine kinase complexed with inhibitor and activator: implications for catalysis and hyperactivation. by Sabine Kuettel, Jason Greenwald, Dirk Kostrewa, Shaheen Ahmed, Leonardo Scapozza, Remo Perozzo

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Development of Novel Fluorinated Polyphenols as Selective Inhibitors of DYRK1A/B Kinase for Treatment of Neuroinflammatory Diseases including Parkinson's Disease by Gian Luca Araldi, Yu-Wen Hwang

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Ionic liquids as the effective technology for enhancing transdermal drug delivery: Design principles, roles, mechanisms, and future challenges by Xuejun Chen, Ziqing Li, Chunrong Yang, Degong Yang

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Isolation of anticancer constituents from Cucumis prophetarum var. prophetarum through bioassay-guided fractionation by Abdulrhman Alsayari, Lucas Kopel, Mahmoud Salama Ahmed, Hesham S. M. Soliman, Sivakumar Annadurai, Fathi T. Halaweish

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Design and synthesis of naphthalimide group-bearing thioglycosides as novel β-N-acetylhexosaminidases inhibitors by Shengqiang Shen, Wei Chen, Lili Dong, Qing Yang, Huizhe Lu, Jianjun Zhang

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Synthesis and biological evaluation of 4-phenoxy-phenyl isoxazoles as novel acetyl-CoA carboxylase inhibitors by Xin Wu, Yongbo Yu, Tonghui Huang

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4-Cyanamidobenzenesulfonamide derivatives: a novel class of human and bacterial carbonic anhydrase inhibitors by Morteza Abdoli, Alessandro Bonardi, Claudiu T. Supuran, Raivis Žalubovskis

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In silico ADME and Toxicity Prediction of Ceftazidime and Its Impurities by Ying Han, Jingpu Zhang, Chang Qin Hu, Xia Zhang, Bufang Ma, Peipei Zhang

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Chirality and Rigidity in Triazole-Modified Peptidomimetics Interacting with Neuropilin-1 by Bartłomiej Fedorczyk, Patrycja Redkiewicz, Joanna Matalińska, Radosław Piast, Piotr Kosson, Rafał Wieczorek

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Carcinogenic effects of N-nitroso-3-(substituted phenylimino)-indolin-2-one derivatives by Murali Kumarasamy, Panneerselvam Theivendren, Rousso Govindarajan, Scott G Franzblau, Kirthiga Ramalingam

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Recent Advances in the Discovery of SIRT1/2 Inhibitors via Computational Methods: A Perspective by Naomi Scarano, Chiara Brullo, Francesca Musumeci, Enrico Millo, Santina Bruzzone, Silvia Schenone, Elena Cichero

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In Silico Antiprotozoal Evaluation of 1,4-Naphthoquinone Derivatives against Chagas and Leishmaniasis Diseases Using QSAR, Molecular Docking, and ADME Approaches by Lina S. Prieto Cárdenas, Karen A. Arias Soler, Diana L. Nossa González, Wilson E. Rozo Núñez, Agobardo Cárdenas-Chaparro, Pablo R. Duchowicz, Jovanny A. Gómez Castaño

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Application of Ligand- and Structure-Based Prediction Models for the Design of Alkylhydrazide-Based HDAC3 Inhibitors as Novel Anti-Cancer Compounds by Emre F. Bülbül, Dina Robaa, Ping Sun, Fereshteh Mahmoudi, Jelena Melesina, Matthes Zessin, Mike Schutkowski, Wolfgang Sippl

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14-3-3σ and Its Modulators in Cancer by Ghazi Aljabal, Beow Keat Yap

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Structural modifications of berberine and their binding effects towards polymorphic deoxyribonucleic acid structures: A review by Lanlan Fu, Jiajia Mou, Yanru Deng, Xiaoliang Ren

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Facile One-Pot Conversion of (poly)phenols to Diverse (hetero)aryl Compounds by Suzuki Coupling Reaction: A Modified Approach for the Synthesis of Coumarin- and Equol-Based Compoun... by Muthipeedika Nibin Joy, Igor S. Kovalev, Olga V. Shabunina, Sougata Santra, Grigory V. Zyryanov

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Synthesis and biological evaluation of novel N9-heterobivalent β-carbolines as angiogenesis inhibitors by Liang Guo, Qin Ma, Wei Chen, Wenxi Fan, Jie Zhang, Bin Dai

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A QSAR Study on the 4-Substituted Coumarins as Potent Tubulin Polymerization Inhibitors by Leila Dinparast, Siavoush Dastmalchi

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Synthesis and biological evaluation of 12-N-p-chlorobenzyl sophoridinol derivatives as a novel family of anticancer agents by Chongwen Bi, Cheng Ye, Yinghong Li, Wuli Zhao, Rongguang Shao, Danqing Song

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Anti-SARS-CoV-2 Natural Products as Potentially Therapeutic Agents by Cheorl-Ho Kim

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