Search Results - "structure–activity relationship"

Molecular Docking and Dynamics Simulations Reveal the Potential of Anti-HCV Drugs to Inhibit COVID-19 Main Protease by Ahmed Ali Al-Karmalawy, Radwan Alnajjar, Mohammed Dahab, Ahmed Metwaly, Ibrahim Eissa

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Predicting AAK1/GAK dual-target inhibitor against SARS-CoV-2 viral entry into host cells: an in silico approach / Xavier Chee Wezen ...[et.al.] by Wezen, Xavier Chee, Clement, Sim Jun Wen, Yung Ping, Lilian Siaw, Yeong, Kah Ho, Qing, Kong Hao, Ha, Christopher, San, Hwang Siaw

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Computer prediction of toxicity of new S-alkyl derivatives of 1,2,4-triazole by V. V. Kalchenko, R. O. Shcherbyna

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The Schistosoma mansoni Cytochrome P450 (CYP3050A1) Is Essential for Worm Survival and Egg Development. by Peter D Ziniel, Bhargava Karumudi, Andrew H Barnard, Ethan M S Fisher, Gregory R J Thatcher, Larissa M Podust, David L Williams

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A novel STING agonist with systemic and durable anti‐tumour activity by Xiyuan Wang, Ancheng Shen, Yan Zhang, Xiaoxu Chen, Jian Ding, Ao Zhang, Meiyu Geng, Chunyong Ding, Zuoquan Xie

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Design and synthesis of novel dihydropyridine- and benzylideneimine-based tyrosinase inhibitors by Ifraz Ahmad, Warda Parveen, Shah Noor, Zahoor Udin, Amjad Ali, Ijaz Ali, Riaz Ullah, Hamid Ali

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3D-QSAR study and development of pharmacophore for serotonin 5-HT2A receptors agonists by Radan Milica, Nikolić Katarina, Vučićević Jelica, Oljačić Slavica, Agbaba Danica

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Drug Candidates for the Treatment of Alzheimer's Disease: New Findings from 2021 and 2022 by Sujatha L. Motebennur, Belakatte P. Nandeshwarappa, Manjunatha S. Katagi

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A Novel Method for Predicting the Human Inherent Clearance and Its Application in the Study of the Pharmacokinetics and Drug-Drug Interaction between Azidothymidine and Fluconazole... by Yawen Yuan, Jun Zhang, Boyu Fang, Xiaoqiang Xiang, Guo Ma, Shunguo Zhang, Bin Zhu, Weimin Cai

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Design and Synthesis of New Pyrimidine-Quinolone Hybrids as Novel <i>h</i>LDHA Inhibitors by Iván Díaz, Sofia Salido, Manuel Nogueras, Justo Cobo

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Structural Optimization of the Diarylurea PSNCBAM-1, an Allosteric Modulator of Cannabinoid Receptor 1 by Rachel Dopart, Sri Sujana Immadi, Dai Lu, Debra A. Kendall

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New Inhibitors of Bcr-Abl Based on 2,6,9-Trisubstituted Purine Scaffold Elicit Cytotoxicity in Chronic Myeloid Leukemia-Derived Cell Lines Sensitive and Resistant to TKIs by Thalia Delgado, Denisa Veselá, Hana Dostálová, Vladimír Kryštof, Veronika Vojáčková, Radek Jorda, Alejandro Castro, Jeanluc Bertrand, Gildardo Rivera, Mario Faúndez, Miroslav Strnad, Christian Espinosa-Bustos, Cristian O. Salas

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QSAR prediction of toxicity for a new 1,2,4-triazole derivatives with 2-bromo-5-methoxyphenyl fragment by M. P. Skoryi, R. O. Shcherbyna

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Em08red, a dual functional antiproliferative emodin analogue, is a downregulator of ErbB2 expression and inducer of intracellular oxidative stress by Liang FP, Lien JC, Wu YH, Chen CS, Juang SH

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The dark side of cannabis - synthetic cannabinoids as the "legal high" by Małgorzata Piechaczek, Magdalena Smolik, Beata Bystrowska

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Generative artificial intelligence in drug discovery: basic framework, recent advances, challenges, and opportunities by Amit Gangwal, Azim Ansari, Iqrar Ahmad, Abul Kalam Azad, Vinoth Kumarasamy, Vetriselvan Subramaniyan, Vetriselvan Subramaniyan, Ling Shing Wong

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Identification of compounds with anti-proliferative activity against Trypanosoma brucei brucei strain 427 by a whole cell viability based HTS campaign. by Melissa L Sykes, Jonathan B Baell, Marcel Kaiser, Eric Chatelain, Sarah R Moawad, Danny Ganame, Jean-Robert Ioset, Vicky M Avery

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The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay by Jie Xia, Huabin Hu, Wenjie Xue, Xiang Simon Wang, Song Wu

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In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus by Abhishek Ghosh, Parthasarathi Panda, Amit Kumar Halder, Amit Kumar Halder, Maria Natalia D. S. Cordeiro

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Efficient Delivery of DNA Using Lipid Nanoparticles by Lishan Cui, Serena Renzi, Erica Quagliarini, Luca Digiacomo, Heinz Amenitsch, Laura Masuelli, Roberto Bei, Gianmarco Ferri, Francesco Cardarelli, Junbiao Wang, Augusto Amici, Daniela Pozzi, Cristina Marchini, Giulio Caracciolo

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