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Binding analysis

A novel assay to measure low-density lipoproteins binding to proteoglycans

Esmond N. Geh, Debi K. Swertfeger, Hannah Sexmith, Anna Heink, Pheruza Tarapore, John T. Melchior, W. Sean Davidson, Amy Sanghavi Shah

published 31 Jan 2024

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Targeting Sirtuin 1 for therapeutic potential: Drug repurposing approach integrating docking and molecular dynamics simulations

Mohammed Alrouji, Fahad A. Alhumaydhi, Abdulrhman Alsayari, Sharaf E. Sharaf, Sheeba Shafi, Saleha Anwar, Moyad Shahwan, Akhtar Atiya, Anas Shamsi

published 20 Dec 2023

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Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

Rima D. Alharthy, Ghulam Fatima, Numan Yousaf, Muhammad Shaheen Iqbal, Sadia Sattar, Abdullah R. Alanzi, Ijaz Ali, Muhammad Muddassar

published 19 Dec 2023

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In silico studies of anti-oxidative and hot temperament-based phytochemicals as natural inhibitors of SARS-CoV-2 M^pro

Ramin Naderi Beni, Parisa Elyasi-Ebli, Sajjad Gharaghani, Arefeh Seyedarabi

published 30 Nov 2023

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Computational exploration of novel ROCK2 inhibitors for cardiovascular disease management; insights from high-throughput virtual screening, molecular docking, DFT and MD simulation

Iqra Ali, Muhammad Nasir Iqbal, Muhammad Ibrahim, Ihtisham Ul Haq, Wadi B. Alonazi, Abdul Rauf Siddiqi

published 16 Nov 2023

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Upregulation of human GD3 synthase (hST8Sia I) gene expression during serum starvation-induced osteoblastic differentiation of MG-63 cells

So-Young An, Hyun-Kyoung Yoon, Kyoung-Sook Kim, Hee-Do Kim, Jong-Hyun Cho, Hyeon-Jun Kim, Cheorl-Ho Kim, Young-Choon Lee

published 02 Nov 2023

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Coarse-grained molecular dynamics-guided immunoinformatics to explain the binder and non-binder classification of Cytotoxic T-cell epitope for SARS-CoV-2 peptide-based vaccine discovery

Muhammad Yusuf, Wanda Destiarani, Wahyu Widayat, Yosua Yosua, Gilang Gumilar, Angelica Shalfani Tanudireja, Fauzian Giansyah Rohmatulloh, Farhan Azhwin Maulana, Umi Baroroh, Ari Hardianto, Rani Maharani, Neni Nurainy, Acep Riza Wijayadikusumah, Ryan B. Ristandi, Ines Irene Caterina Atmosukarto, Toto Subroto

published 05 Oct 2023

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Discovery of neutralizing SARS-CoV-2 antibodies enriched in a unique antigen specific B cell cluster

Stine Sofie Frank Lende, Nanna Møller Barnkob, Randi Westh Hansen, Harsh Bansia, Mike Vestergaard, Frederik Holm Rothemejer, Anne Worsaae, Deijona Brown, Maria Lange Pedersen, Anna Halling Folkmar Rahimic, Anna Karina Juhl, Torben Gjetting, Lars Østergaard, Amédée Des Georges, Laurent-Michel Vuillard, Mariane Høgsbjerg Schleimann, Klaus Koefoed, Martin Tolstrup

published 20 Sep 2023

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Characterization of Fibrodysplasia Ossificans Progessiva relevant Acvr1/Acvr2 Activin receptors in medaka (Oryzias latipes)

Michael Trumpp, Wen Hui Tan, Wiktor Burdzinski, Yara Basler, Jerome Jatzlau, Petra Knaus, Christoph Winkler

published 14 Sep 2023

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Vibegron shows high selectivity and potent agonist activity for β3-adrenoceptors, irrespective of receptor density

Shota Yamamoto, Hotaka Kusabuka, Akane Matsuzawa, Itaru Maruyama, Takanobu Yamazaki

published 01 Sep 2023

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Inhibition of α-hemolysin activity of Staphylococcus aureus by theaflavin 3,3’-digallate

Anna Goc, Waldemar Sumera, Matthias Rath, Aleksandra Niedzwiecki

published 31 Aug 2023

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Is serotonin transporter brain binding associated with the cortisol awakening response? An independent non-replication

Juliane Conradi, Jonas E. Svensson, Søren V. Larsen, Vibe G. Frokjaer

published 31 Aug 2023

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Targeting Filamenting temperature-sensitive mutant Z (FtsZ) with bioactive phytoconstituents: An emerging strategy for antibacterial therapy

Bader Saud Alotaibi

published 30 Aug 2023

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