Search Results - "structure–activity relationship"

Tree-Based QSAR Model for Drug Repurposing in the Discovery of New Antibacterial Compounds against <i>Escherichia coli</i> by Beatriz Suay-Garcia, Antonio Falcó, J. Ignacio Bueso-Bordils, Gerardo M. Anton-Fos, M. Teresa Pérez-Gracia, Pedro A. Alemán-López

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The Effective Synthesis of New Benzoquinoline Derivatives as Small Molecules with Anticancer Activity by Gheorghita Zbancioc, Ionel I. Mangalagiu, Costel Moldoveanu

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Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction by Ismail Mondal, Amit Kumar Halder, Nirupam Pattanayak, Sudip Kumar Mandal, Maria Natalia D. S. Cordeiro

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Development of Non-Ethoxypropanoic Acid Type Cryptochrome Inhibitors with Circadian Molecular Clock-Enhancing Activity by Bioisosteric Replacement by Yong Uk Jeong, Hyo-Eon Jin, Hye Young Lim, Goyeong Choi, Hansol Joo, Bohun Kang, Ga-Hyun Lee, Kwang-Hyeon Liu, Han-Joo Maeng, Sooyoung Chung, Gi Hoon Son, Jong-Wha Jung

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Revealing key structural features for developing new agonists targeting δ opioid receptor: Combined machine learning and molecular modeling perspective by Zeynab Fakhar, Ali Hosseinpouran, Orde Q. Munro, Sorena Sarmadi, Sajjad Gharaghani

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Antifungal Activity of a Library of Aminothioxanthones by Joana Cardoso, Joana Freitas-Silva, Fernando Durães, Diogo Teixeira Carvalho, Luís Gales, Madalena Pinto, Emília Sousa, Eugénia Pinto

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In Silico Studies of Indole Derivatives as Antibacterial Agents by Mridul Shah, Adarsh Kumar, Ankit Kumar Singh, Harshwardhan Singh, Balasubramanian Narasimhan, Pradeep Kumar

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Optimization of 2-Acylaminocycloalkylthiophene Derivatives for Activity against <i>Staphylococcus aureus</i> RnpA by Michaelle Chojnacki, Xufeng Cao, Daniel P. Flaherty, Paul M. Dunman

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Deep Learning and Antibiotic Resistance by Stefan Lucian Popa, Cristina Pop, Miruna Oana Dita, Vlad Dumitru Brata, Roxana Bolchis, Zoltan Czako, Mohamed Mehdi Saadani, Abdulrahman Ismaiel, Dinu Iuliu Dumitrascu, Simona Grad, Liliana David, Gabriel Cismaru, Alexandru Marius Padureanu

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QSAR, Molecular Docking and protein ligand interaction fingerprint studies of N-phenyl dichloroacetamide derivatives as anticancer agents by Masood Fereidoonnezhad, Zeinab Faghih, Elham Jokar, Ayyub Mojaddami, Zahra Rezaei, Mehdi Khoshneviszadeh

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First Report on Cationic Triphenylphosphonium Compounds as Mitochondriotropic H₃R Ligands with Antioxidant Properties by Tobias Werner, Tito Añazco, Paula Osses-Mendoza, Alejandro Castro-Álvarez, Cristian O. Salas, Raquel Bridi, Holger Stark, Christian Espinosa-Bustos

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Design, Synthesis and Biological Evaluation of Neogliptin, a Novel 2-Azabicyclo[2.2.1]heptane-Based Inhibitor of Dipeptidyl Peptidase-4 (DPP-4) by Ivan O. Maslov, Tatiana V. Zinevich, Olga G. Kirichenko, Mikhail V. Trukhan, Sergey V. Shorshnev, Natalya O. Tuaeva, Maxim A. Gureev, Amelia D. Dahlén, Yuri B. Porozov, Helgi B. Schiöth, Vladimir M. Trukhan

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Discovery of Substituted (2-Aminooxazol-4-yl)Isoxazole-3-carboxylic Acids as Inhibitors of Bacterial Serine Acetyltransferase in the Quest for Novel Potential Antibacterial Adjuvan... by Joana Magalhães, Nina Franko, Samanta Raboni, Giannamaria Annunziato, Päivi Tammela, Agostino Bruno, Stefano Bettati, Stefano Armao, Costanza Spadini, Clotilde Silvia Cabassi, Andrea Mozzarelli, Marco Pieroni, Barbara Campanini, Gabriele Costantino

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Synthesis and evaluation of novel 1-(((6-substitutedbenzo[d]thiazol-2-yl)amino)(heteroaryl)methyl)naphthalen-2-ol as pesticidal agents by Junfeng Shang, Yuxin Li, Na Yang, Lixia Xiong, Baolei Wang

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3-Substituted Coumarins Inhibit NorA and MepA Efflux Pumps of <i>Staphylococcus aureus</i> by José B. de Araújo-Neto, Cícera D. de M. Oliveira-Tintino, Gildênia A. de Araújo, Daniel S. Alves, Fernanda R. Ribeiro, Guilherme A. Brancaglion, Diogo T. Carvalho, Clara Mariana Gonçalves Lima, Hani S. H. Mohammed Ali, Irfan A. Rather, Mohmmad Y. Wani, Talha B. Emran, Henrique D. M. Coutinho, Valdir de Q. Balbino, Saulo R. Tintino

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QSAR, Molecular Docking and protein ligand interaction fingerprint studies of N-phenyl dichloroacetamide derivatives as anticancer agents by Masood Fereidoonnezhad, Zeinab Faghih, Elham Jokar, Ayyub Mojaddami, Zahra Rezaei, Mehdi Khoshneviszadeh

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Natural HSP90 inhibitors as a potential therapeutic intervention in treating cancers: A comprehensive review by Hui Yi Liew, Xin Yoong Tan, Hong Hao Chan, Kooi Yeong Khaw, Yong Sze Ong

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The Anticancer Activity for the Bumetanide-Based Analogs via Targeting the Tumor-Associated Membrane-Bound Human Carbonic Anhydrase-IX Enzyme by Azizah M. Malebari, Tarek S. Ibrahim, Ibrahim M. Salem, Ismail Salama, Ahdab N. Khayyat, Samia M. Mostafa, Osama I. El-Sabbagh, Khaled M. Darwish

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Discovery of a Novel, Selective and Irreversible Inhibitor (Abivertinib) of Mutated EGFR and T790M-induced Resistance for the Treatment of NSCLC by Long Mao, Wei Tang, Xiaoying Zhang, Jia Liu, Yile Chen, Yuning Hua, Bojie Weng, Xiaopeng Mo, Yimei Bao, Li Teng, Lijun Xu, Yuren Zhang, Jian Wu, Guanglin Zhou, Bin Liang, Changxu Xu, Biao Xi, Li Zhao, Rongda Xu, Che Fang, Wanhong Xu, Xiaobo Wang, Xiao Xu

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Jugiones A-D: Antibacterial Xanthone-Anthraquinone Heterodimers from Australian Soil-Derived <i>Penicillium shearii</i> CMB-STF067 by Thulasi Sritharan, Angela A. Salim, Zeinab G. Khalil, Robert J. Capon

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