Bilaketaren emaitzak - "Molecular Modelling"

New quinoxalinone inhibitors targeting secreted phospholipase A2 and α-glucosidase nork Fatmah A. S. Alasmary, Fatima S. Alnahdi, Abir Ben Bacha, Amr M. El-Araby, Nadine Moubayed, Ahmed M. Alafeefy, Moustafa E. El-Araby

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Adenine and benzimidazole-based mimics of REP-3123 as antibacterial agents against Clostridium difficile and Bacillus anthracis: Design, synthesis and biological evaluation nork Ahmed G. Eissa, James A. Blaxland, Rhodri O. Williams, Kamel A. Metwally, Sobhy M. El-Adl, El-Sayed M. Lashine, Leslie W.J. Baillie, Claire Simons

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Predictive QSAR model confirms flavonoids in Chinese medicine can activate voltage-gated calcium (CaV) channel in osteogenesis nork Ki Chan, Henry Chi Ming Leung, James Kit-Hon Tsoi

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A Novel 2-Methoxyestradiol Derivative: Disrupting Mitosis Inhibiting Cell Motility and Inducing Apoptosis in HeLa Cells In Vitro nork Isaac Kinyua Njangiru, Noémi Bózsity-Faragó, Vivien Erzsébet Resch, Gábor Paragi, Éva Frank, György T. Balogh, István Zupkó, Renáta Minorics

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Insights into the Antimicrobial, Antioxidant, Anti-SARS-CoV-2 and Cytotoxic Activities of <i>Pistacia lentiscus</i> Bark and Phytochemical Profile; In Silico and In Vitro Study nork Samy Selim, Mohammed S. Almuhayawi, Mohanned T. Alharbi, Soad K. Al Jaouni, Afaf Alharthi, Basel A. Abdel-Wahab, Mervat A. R. Ibrahim, Amnah Mohammed Alsuhaibani, Mona Warrad, Khaled Rashed

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Interplay between OXA-10 β-Lactamase Production and Low Outer-Membrane Permeability in Carbapenem Resistance in Enterobacterales nork Isaac Alonso-García, Juan Carlos Vázquez-Ucha, Marta Martínez-Guitián, Cristina Lasarte-Monterrubio, Salud Rodríguez-Pallares, Pablo Camacho-Zamora, Soraya Rumbo-Feal, Pablo Aja-Macaya, Lucía González-Pinto, Michelle Outeda-García, Romina Maceiras, Paula Guijarro-Sánchez, María José Muíño-Andrade, Ana Fernández-González, Marina Oviaño, Concepción González-Bello, Jorge Arca-Suárez, Alejandro Beceiro, Germán Bou

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Chromene Derivatives as Selective TERRA G-Quadruplex RNA Binders with Antiproliferative Properties nork Roberta Rocca, Francesca Scionti, Matteo Nadai, Federica Moraca, Annalisa Maruca, Giosuè Costa, Raffaella Catalano, Giada Juli, Maria Teresa Di Martino, Francesco Ortuso, Stefano Alcaro, Pierosandro Tagliaferri, Pierfrancesco Tassone, Sara N. Richter, Anna Artese

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In Silico and In Vitro Evaluation of the Mechanism of Action of Three VX809-Based Hybrid Derivatives as Correctors of the F508del CFTR Protein nork Debora Baroni, Naomi Scarano, Alessandra Ludovico, Chiara Brandas, Alice Parodi, Dario Lunaccio, Paola Fossa, Oscar Moran, Elena Cichero, Enrico Millo

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Metabolomics-Based Profiling of <i>Clerodendrum speciosum</i> (Lamiaceae) Leaves Using LC/ESI/MS-MS and In Vivo Evaluation of Its Antioxidant Activity Using <i>Caenorhabditis elega... nork Fadia S. Youssef, Mansour Sobeh, Malak Dmirieh, Hanin A. Bogari, Abdulrahman E. Koshak, Michael Wink, Mohamed L. Ashour, Sameh S. Elhady

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Red cell adenylate kinase deficiency in China: molecular study of 2 new mutations (413G > A, 223dupA) nork Sijia He, Hongbo Chen, Xia Guo, Ju Gao

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Per-residue energy decomposition pharmacophore model to enhance virtual screening in drug discovery: a study for identification of reverse transcriptase inhibitors as potential ant... nork Cele FN, Ramesh M, Soliman ME

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Protocetraric and Salazinic Acids as Potential Inhibitors of SARS-CoV-2 3CL Protease: Biochemical, Cytotoxic, and Computational Characterization of Depsidones as Slow-Binding Inact... nork Lorenza Fagnani, Lisaurora Nazzicone, Pierangelo Bellio, Nicola Franceschini, Donatella Tondi, Andrea Verri, Sabrina Petricca, Roberto Iorio, Gianfranco Amicosante, Mariagrazia Perilli, Giuseppe Celenza

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Antidiabetic, antioxidant, molecular docking and HPTLC analysis of miquelianin isolated from Euphorbia schimperi C. Presl nork Sarfaraz Ahmed, Adnan J. Al-Rehaily, Perwez Alam, Ali S. Alqahtani, Syed Hidayatullah, Md. Tabish Rehman, Ramzi A. Mothana, Syed Sadiq Abbas, M.U. Khan, Jamal M. Khalid, Nasir A. Siddiqui

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Vitamin D3 Prevents the Deleterious Effects of Testicular Torsion on Testis by Targeting miRNA-145 and ADAM17: In Silico and In Vivo Study nork Doaa I. Mohamed, Doaa A. Abou-Bakr, Samar F. Ezzat, Hanaa F. Abd El-Kareem, Hebatallah H. Abo Nahas, Hosam A. Saad, Amir E. Mehana, Essa M. Saied

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3-Hydroxypropane-1,2-Diyl Dipalmitoleate-A Natural Compound with Dual Roles (CB1 Agonist/FAAH1 Blocker) in Inhibiting Ovarian Cancer Cell Line nork Christina Vijayaraghavan Sathynathan, Lakshmi Sundaram Raman, Sivamurugan Vajiravelu, Thirumal D. Kumar, Thyagarajan Sadras Panchatcharam, Gopinathan Narasimhan, George C. Priya Doss, Mary Elizabeth Gnanambal Krishnan

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The Role of Dopamine in the Stimulant Characteristics of Novel Psychoactive Substances (NPS)-Neurobiological and Computational Assessment Using the Case of Desoxypipradrol (2-DPMP) nork Barbara Loi, Barbara Loi, Michelle A. Sahai, Maria Antonietta De Luca, Hana Shiref, Jolanta Opacka-Juffry

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Daidzein is the in vivo active compound of Puerariae Lobatae Radix water extract for muscarinic receptor-3 inhibition against overactive bladder nork Yining Qiang, Lu Bai, Shuran Tian, Yi Ma, Pingxiang Xu, Pingxiang Xu, Mingchang Cheng, Yi Wu, Xiaorong Li, Xiaorong Li, Ming Xue, Ming Xue, Xuelin Zhou, Xuelin Zhou

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Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses nork Arodola OA, Soliman MES

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Characterization of ligand-induced thermal stability of the human organic cation transporter 2 (OCT2) nork Max Maane, Fangrui Xiu, Fangrui Xiu, Peter Bellstedt, Gerd A. Kullak-Ublick, Michele Visentin

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Anti-prostate cancer metabolites from the soil-derived Aspergillus neoniveus nork Menna Fayek, Hassan Y. Ebrahim, Heba E. Elsayed, Mohamed S. Abdel-Aziz, Benson M. Kariuki, Fatma A. Moharram

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