Search Results - "structure–activity relationship"

Antimicrobial Isoflavones and Derivatives from Erythrina (Fabaceae): Structure Activity Perspective (Sar & Qsar) on Experimental and Mined Values Against <i>Staphylococcus aureus</... by Nicholas J. Sadgrove, Tiago B. Oliveira, Gugulethu P. Khumalo, Sandy F. van Vuuren, Ben-Erik van Wyk

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Optimization of biguanide derivatives as selective antitumor agents blocking adaptive stress responses in the tumor microenvironment by Narise K, Okuda K, Enomoto Y, Hirayama T, Nagasawa H

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New Diarylamine K_V10.1 Inhibitors and Their Anticancer Potential by Špela Gubič, Žan Toplak, Xiaoyi Shi, Jaka Dernovšek, Louise Antonia Hendrickx, Ernesto Lopes Pinheiro-Junior, Steve Peigneur, Jan Tytgat, Luis A. Pardo, Lucija Peterlin Mašič, Tihomir Tomašič

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Molecular modeling and analysis of the 3D pharmacophore structure of the selective PI3K-α inhibitors as antitumor agents by Jovanović Milan, Nikolić Katarina, Gagić Žarko, Agbaba Danica

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Molecular elements in FGF19 and FGF21 defining KLB/FGFR activity and specificity by Archita Agrawal, Sebastian Parlee, Diego Perez-Tilve, Pengyun Li, Jia Pan, Piotr A. Mroz, Ann Maria Kruse Hansen, Birgitte Andersen, Brian Finan, Alexei Kharitonenkov, Richard D. DiMarchi

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Development and application of consensus in silico models for advancing high-throughput toxicological predictions by Sean P. Collins, Brandon Mailloux, Sunil Kulkarni, Matthew Gagné, Alexandra S. Long, Tara S. Barton-Maclaren

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2-Substituted-3-(5-Substituted-1,3,4-oxadiazol/thiadiazol-2-yl) Thiazolidin-4-one Derivatives: Synthesis, Anticancer, Antimicrobial, and Antioxidant Potential by Davinder Kumar, Navidha Aggarwal, Harsh Kumar, Garima Kapoor, Aakash Deep, Shabana Bibi, Aastha Sharma, Hitesh Chopra, Rakesh Kumar Marwaha, Abdulrahman Alshammari, Metab Alharbi, Abdul Hayee

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QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities by Marilia N. N. Lima, Cleber C. Melo-Filho, Gustavo C. Cassiano, Bruno J. Neves, Bruno J. Neves, Vinicius M. Alves, Rodolpho C. Braga, Pedro V. L. Cravo, Eugene N. Muratov, Eugene N. Muratov, Juliana Calit, Daniel Y. Bargieri, Fabio T. M. Costa, Carolina H. Andrade, Carolina H. Andrade

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Development of Novel ROCK Inhibitors via 3D-QSAR and Molecular Docking Studies: A Framework for Multi-Target Drug Design by Milan Beljkas, Milos Petkovic, Ana Vuletic, Ana Djuric, Juan Francisco Santibanez, Tatjana Srdic-Rajic, Katarina Nikolic, Slavica Oljacic

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The More the Better-Investigation of Polymethoxylated <i>N</i>-Carboranyl Quinazolines as Novel Hybrid Breast Cancer Resistance Protein Inhibitors by Philipp Stockmann, Lydia Kuhnert, Wencke Leinung, Cathleen Lakoma, Birte Scholz, Svetlana Paskas, Sanja Mijatović, Danijela Maksimović-Ivanić, Walther Honscha, Evamarie Hey-Hawkins

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Antibacterial Activity and Mechanisms of Plant Flavonoids against Gram-Negative Bacteria Based on the Antibacterial Statistical Model by Yu Yan, Xuexue Xia, Aiman Fatima, Li Zhang, Ganjun Yuan, Fengxian Lian, Yu Wang

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QSAR Regression Models for Predicting HMG-CoA Reductase Inhibition by Robert Ancuceanu, Patriciu Constantin Popovici, Doina Drăgănescu, Ștefan Busnatu, Beatrice Elena Lascu, Mihaela Dinu

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3D-QSAR and Docking Studies on Pyrimidine Derivatives of Second-Generation ALK Inhibitors by Gang-Long Jiang, Lian-Hua Song, Yong-Fu Qiu, Yu Liu

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Synthesis and Biological Evaluation of Highly Active 7-Anilino Triazolopyrimidines as Potent Antimicrotubule Agents by Paola Oliva, Romeo Romagnoli, Barbara Cacciari, Stefano Manfredini, Chiara Padroni, Andrea Brancale, Salvatore Ferla, Ernest Hamel, Diana Corallo, Sanja Aveic, Noemi Milan, Elena Mariotto, Giampietro Viola, Roberta Bortolozzi

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Targets Fishing and Identification of Calenduloside E as Hsp90AB1: Design, Synthesis, and Evaluation of Clickable Activity-Based Probe by Shan Wang, Yu Tian, Jing-Yi Zhang, Hui-Bo Xu, Ping Zhou, Min Wang, Sen-Bao Lu, Yun Luo, Min Wang, Gui-Bo Sun, Xu-Dong Xu, Xiao-Bo Sun

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Synthesis and antileishmanial effect of a few cyclic and non-cyclic n-aryl enamino amide derivatives by Behnam Mohammadi-ghalehbin, Sima Najafi, Nima Razzaghi-Asl

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QSAR Studies, Molecular Docking, Molecular Dynamics, Synthesis, and Biological Evaluation of Novel Quinolinone-Based Thiosemicarbazones against <i>Mycobacterium tuberculosis</i> by Jhesua Valencia, Vivian Rubio, Gloria Puerto, Luisa Vasquez, Anthony Bernal, José R. Mora, Sebastian A. Cuesta, José Luis Paz, Braulio Insuasty, Rodrigo Abonia, Jairo Quiroga, Alberto Insuasty, Andres Coneo, Oscar Vidal, Edgar Márquez, Daniel Insuasty

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Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed <i>ortho</i>-C(sp²)-H-Hydroxylation by Alexander Berger, Talea Knak, Anna-Lene, Korana Mudrovcic, Vinayak Singh, Mathew Njoroge, Bjoern B. Burckhardt, Mohanraj Gopalswamy, Beate Lungerich, Lutz Ackermann, Holger Gohlke, Kelly Chibale, Rainer Kalscheuer, Thomas Kurz

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New protein deposition tracers in the pipeline by Aleksandar Jovalekic, Norman Koglin, Andre Mueller, Andrew W. Stephens

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3D QSAR study on substituted 1, 2, 4 triazole derivatives as anticancer agents by kNN MFA approach by Shailaja P. Desai, S.K. Mohite, Saad Alobid, M.G. Saralaya, Ashwini S Patil, Kuntal Das, Moneer E. Almadani, Syed Arif Hussain, Bader Hussain Alamer, Ebtesam Abdulrahman Jibreel, Ali Ibrahim Almoteer, Syed Mohammed Basheeruddin Asdaq

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