Rezultati pretrage - "Molecular Modelling"

Formulation development of lipid polymer hybrid nanoparticles of doxorubicin and its in-vitro, in-vivo and computational evaluation od Muhammad Shafique, Maqsood Ur Rehman, Maqsood Ur Rehman, Zul Kamal, Rami M. Alzhrani, Sameer Alshehri, Ali H. Alamri, Mohammed Ali Bakkari, Fahad Y. Sabei, Awaji Y. Safhi, Ahmed M. Mohammed, Mohamed A. El Hamd, Mohamed A. El Hamd, Saud Almawash

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Antioxidant and Anti-Inflammatory Activity of <i>Cynanchum acutum</i> L. Isolated Flavonoids Using Experimentally Induced Type 2 Diabetes Mellitus: Biological and In Silico Investi... od Reda F. A. Abdelhameed, Amany K. Ibrahim, Mahmoud A. Elfaky, Eman S. Habib, Mayada I. Mahamed, Eman T. Mehanna, Khaled M. Darwish, Dina M. Khodeer, Safwat A. Ahmed, Sameh S. Elhady

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Design, synthesis and biological evaluation of novel O-substituted tryptanthrin oxime derivatives as c-Jun N-terminal kinase inhibitors od Igor A. Schepetkin, Anastasia R. Kovrizhina, Ksenia S. Stankevich, Andrei I. Khlebnikov, Liliya N. Kirpotina, Mark T. Quinn, Matthew J. Cook

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Thiadiazolidinone (TDZD) Analogs Inhibit Aggregation-Mediated Pathology in Diverse Neurodegeneration Models, and Extend <i>C. elegans</i> Life- and Healthspan od Samuel Kakraba, Srinivas Ayyadevara, Nirjal Mainali, Meenakshisundaram Balasubramaniam, Suresh Bowroju, Narsimha Reddy Penthala, Ramani Atluri, Steven W. Barger, Sue T. Griffin, Peter A. Crooks, Robert J. Shmookler Reis

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Evaluation of the inhibitory activities of thyme compounds against coronavirus disease-19 (COVID-19) by molecular docking and molecular dynamic simulation od Saba Hadidi

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Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics od Mario Allegra, Marco Tutone, Luisa Tesoriere, Alessandro Attanzio, Giulia Culletta, Anna Maria Almerico

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Insights Into the Resistance Mechanisms of Inhibitors to FLT3 F691L Mutation via an Integrated Computational Approach od Yunfeng Sun, Zhongni Xia, Qinqin Zhao, Bei Zheng, Meiling Zhang, Yin Ying

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Tuning Scorpion Toxin Selectivity: Switching From KV1.1 to KV1.3 od Andrei M. Gigolaev, Alexey I. Kuzmenkov, Steve Peigneur, Valentin M. Tabakmakher, Valentin M. Tabakmakher, Ernesto L. Pinheiro-Junior, Anton O. Chugunov, Anton O. Chugunov, Anton O. Chugunov, Roman G. Efremov, Roman G. Efremov, Roman G. Efremov, Jan Tytgat, Alexander A. Vassilevski, Alexander A. Vassilevski

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Phytoconstituents, In Vitro Anti-Infective Activity of Buddleja indica Lam., and In Silico Evaluation of its SARS-CoV-2 Inhibitory Potential od Fadia S. Youssef, Ahmed E. Altyar, Abdelsattar M. Omar, Abdelsattar M. Omar, Mohamed L. Ashour, Mohamed L. Ashour

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'Poly phenolic phytoceutical loaded nano-bilosomes for enhanced caco-2 cell permeability and SARS-CoV 2 antiviral activity': in-vitro and insilico studies od Mohamed Y. Zakaria, Shady M. Abd El-Halim, Botros Y. Beshay, Islam Zaki, Mohammed A.S Abourehab

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Novel mutation in carnitine palmitoyltransferase 1A detected through newborn screening for a presymptomatic case in China: a case report od Yi Gan, Fei Yu, Haining Fang

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Isoniazid Linked to Sulfonate Esters via Hydrazone Functionality: Design, Synthesis, and Evaluation of Antitubercular Activity od Ebru Koçak Aslan, Muhammed İhsan Han, Vagolu Siva Krishna, Rasoul Tamhaev, Cagatay Dengiz, Şengül Dilem Doğan, Christian Lherbet, Lionel Mourey, Tone Tønjum, Miyase Gözde Gündüz

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Synthesis and Evaluation of Novel <i>S</i>-alkyl Phthalimide- and <i>S</i>-benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase od Bilal Ahmad Khan, Syeda Shamila Hamdani, Saquib Jalil, Syeda Abida Ejaz, Jamshed Iqbal, Ahmed M. Shawky, Alaa M. Alqahtani, Gamal A. Gabr, Mahmoud A. A. Ibrahim, Peter A. Sidhom

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Molecular mechanisms, targets and clinical potential of berberine in regulating metabolism: a review focussing on databases and molecular docking studies od Aru Sun, Aru Sun, Haoyu Yang, Tao Li, Jinli Luo, Jinli Luo, Ling Zhou, Ling Zhou, Rui Chen, Lin Han, Yiqun Lin

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Brief literature review and comprehensive bioinformatics analytics unravel the potential mechanism of curcumin in the treatment of periodontitis od Xufeng Huang, Ying Liu, Qi Wang, Hafiz Muzzammel Rehman, Dorottya Horváth, Shujing Zhou, Rao Fu, Ling Zhang, Attila Gábor Szöllősi, Zhengrui Li

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Novel eIF4A1 inhibitors with anti‐tumor activity in lymphoma od Forum Kayastha, Noah B. Herrington, Bandish Kapadia, Anirban Roychowdhury, Nahid Nanaji, Glen E. Kellogg, Ronald B. Gartenhaus

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

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Exploring a New Generation of Pyrimidine and Pyridine Derivatives as Anti-Influenza Agents Targeting the Polymerase PA-PB1 Subunits Interaction od Ilaria Giacchello, Annarita Cianciusi, Chiara Bertagnin, Anna Bonomini, Valeria Francesconi, Mattia Mori, Anna Carbone, Francesca Musumeci, Arianna Loregian, Silvia Schenone

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Effects of Hydroxylated Mephedrone Metabolites on Monoamine Transporter Activity in vitro od Marco Niello, Daniela Cintulová, Philip Raithmayr, Marion Holy, Kathrin Jäntsch, Claire Colas, Gerhard F. Ecker, Harald H. Sitte, Marko D. Mihovilovic

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A glyco-engineering approach for site-specific conjugation to Fab glycans od Maria L. Jaramillo, Traian Sulea, Yves Durocher, Mauro Acchione, Melissa J. Schur, Anna Robotham, John F. Kelly, Marie-France Goneau, Alma Robert, Yuneivy Cepero-Donates, Michel Gilbert

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