Suchergebnisse - "Lipinski's rule of five"

Synthesis and Evaluation of Some New 4<i>H</i>-Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic a... von Nahed N. E. El-Sayed, Magdi E. A. Zaki, Sami A. Al-Hussain, Abir Ben Bacha, Malika Berredjem, Vijay H. Masand, Zainab M. Almarhoon, Hanaa S. Omar

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Screening of rosmarinic acid from Salvia miltiorrhizae acting on the novel target TRPC1 based on the 'homology modelling-virtual screening-molecular docking-affinity assay-activity... von Wei Quan, Yuan Wang, Yu-han Chen, Qing Shao, Yang-ze Gong, Jie-wen Hu, Wei-hai Liu, Zi-jun Wu, Jie Wang, Shan-bo Ma, Xiao-qiang Li

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Synthesis, Computational Study, and In Vitro α-Glucosidase Inhibitory Action of 1,3,4-Thiadiazole Derivatives of 3-Aminopyridin-2(1<i>H</i>)-ones von Zarina Shulgau, Irina V. Palamarchuk, Shynggys Sergazy, Assel Urazbayeva, Yerlan Ramankulov, Ivan V. Kulakov

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In silico screening of phytochemicals from Dissotis rotundifolia against Plasmodium falciparum Dihydrofolate Reductase von Latif Adams, Michael Afiadenyo, Samuel Kojo Kwofie, Michael D. Wilson, Kwadow Asamoah Kusi, Dorcas Obiri-Yeboah, Siobhan Moane, Michelle McKeon-Bennett

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Simulation studies, 3D QSAR and molecular docking on a point mutation of protein kinase B with flavonoids targeting ovarian Cancer von Suchitra Maheswari Ajjarapu, Apoorv Tiwari, Gohar Taj, Dev Bukhsh Singh, Sakshi Singh, Sundip Kumar

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Crinum jagus: antiproliferative studies of extracts on HepG2 cell line and in silico assessment of phytoconstituents as potential inhibitors of p53-mortalin interaction von Taye Temitope Alawode, Labunmi Lajide, Mary Olaleye, Bodunde Owolabi

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Guava Leaf Essential Oil as a Potent Antioxidant and Anticancer Agent: Validated through Experimental and Computational Study von Ashok Kumar Mandal, Samrat Paudel, Anisha Pandey, Parasmani Yadav, Prateek Pathak, Maria Grishina, Mariusz Jaremko, Abdul-Hamid Emwas, Habibullah Khalilullah, Amita Verma

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In Silico and In Vitro Identification of Pan-Coronaviral Main Protease Inhibitors from a Large Natural Product Library von Nasim Shahhamzehei, Sara Abdelfatah, Thomas Efferth

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Updating the Pharmacological Effects of &alpha;-Mangostin Compound and Unraveling Its Mechanism of Action: A Computational Study Review von Suhandi C, Wilar G, Narsa AC, Mohammed AFA, El-Rayyes A, Muchtaridi M, Shamsuddin S, Safuan S, Wathoni N

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Synthesis, physical-chemical and biological properties of 1,8-disubstituted compounds of theobromine. III. 8-Amino-p-chlorobenzyltheobromines von D. G. Ivanchenko, M. I. Romanenko, A. M. Kamyshny, N. M. Polishchuk

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A Bidirectional Permeability Assay for beyond Rule of 5 Compounds von Yunhai Cui, Cyril Desevaux, Ines Truebenbach, Peter Sieger, Klaus Klinder, Alan Long, Achim Sauer

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Design and Synthesis of Novel <i>N</i>-Benzylidene Derivatives of 3-Amino-4-imino-3,5-dihydro-4<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidine under Microwave, <i>In Silico</i> ADME Pred... von Sirine Karoui, Marwa Dhiabi, Mehdi Fakhfakh, Souhir Abid, Emmanuelle Limanton, Rémy Le Guével, Thierry D. Charlier, Anthony Mainguy, Olivier Mignen, Ludovic Paquin, Houcine Ammar, Jean-Pierre Bazureau

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In silico molecular docking: Evaluation of coumarin based derivatives against SARS-CoV-2 von Sathish Kumar Chidambaram, Daoud Ali, Saud Alarifi, Surendrakumar Radhakrishnan, Idhayadhulla Akbar

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VIRTUAL SCREENING CAMPAIGNS ON ISOFLAVONES TO DISCOVER POTENT CYCLOOXYGENASE-2 INHIBITORS von Enade Perdana Istyastono

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Cell Surface Transporters and Novel Drug Developments von Natasha Carmichael, Philip J. R. Day, Philip J. R. Day

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Identification of phytoconstituents from Houttuynia cordata Thunb. as dipeptidyl peptidase-IV and sodium glucose cotransporter 2 inhibitors guided by molecular docking von Careen Liza Pakyntein, Daiahun Thabah, Anita Kumari Rai, Donkupar Syiem

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Molecular docking of a set of flavonoid compounds with Helicobacter pylori virulence factors CagA and VacA von Mohamed Reda Jouimyi, Ghizlane Bounder, Imane Essaidi, Hasna Boura, Khalid Zerouali, Halima Lebrazi, Anass Kettani, Fatima Maachi

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Thalidomide-based inhibitor for TNF-α: designing and Insilico evaluation von Biradar Shivaleela, S. C. Srushti, S. J. Shreedevi, R. L. Babu

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In-silico and in-vivo comparative evaluation of the cardioprotective potential of Yellow turmeric and White turmeric in Mn-induced cardiac oxidative stress von Toluwalope T. Fasooto, Oluwakemi R. Ogundana, Abiola F. Adebayo, David B. Olawade, Ezekiel A. Olugbogi, Oluwaseun Fapohunda, Afolabi C. Akinmoladun

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Virtual screenings of the bioactive constituents of tea, prickly chaff, catechu, lemon, black pepper, and synthetic compounds with the main protease (Mpro) and human angiotensin-co... von Nazim Uddin Emon, Md. Munsur Alam, Irin Akter, Saima Akhter, Anjuman Ara Sneha, Md. Irtiza, Marufa Afroj, Arifa Munni, Masruba Hossen Chowdhury, Summiya Hossain

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