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Macromolecular structure analysis

Leveraging dynamic stability to infer regulation in protein-protein interaction networks: A study of infectious vulnerability in COPD

Joyce Reimer, Jeffrey Page, Pranta Saha, Shichen Shen, Xiaoyu Zhu, Shuo Qian, Manoj Mammen, Jun Qu, Sanjay Sethi, Gordon Broderick

published 05 Sep 2025

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Charantin targets HMGCR-PCSK9 axis and activates PPAR-α signaling to ameliorate hyperlipidemia: Mechanistic insights from bioinformatics and in-vivo studies

Ghulam Abbas, Muhammad Nasir Hayat Malik, Haya Yasin, Saud O. Alshammari, Ghulam Murtaza, Waseem Hassan, Muhammad Atif, Ramla Shabbir

published 02 Sep 2025

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Computational prediction of high-risk non-synonymous SNPs in human ApoE and their structural impact on amyloid-β interaction in Alzheimer’s disease pathogenesis

Md. Mainuddin Hossain, Juthi Adhikari, Amit Dutta, Afia Khandaker, Sirajul Islam, Md Masuder Rahman, Abu Zaffar Shibly

published 02 Sep 2025

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KFERQ-selective protein autophagy in Caenorhabditis elegans depends on LMP-1

María Gallardo-Campos, Alicia N. Minniti, Juan Hormazabal, Gonzalo Núñez, Carlos F. Lagos, Tomás Perez-Acle, Rebeca Aldunate, Iván E. Alfaro

published 02 Sep 2025

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Novel thiazole derivatives as effective anti-cancer agents against human osteosarcoma cell line (SaOS-2): Microwave-assisted one-pot three-component synthesis, in vitro anti-cancer studies, and in silico investigations

Arif Mermer, Aydın Tahmasebifar, Sami A. Al-Hussain, Gizem Tatar Yılmaz, Zeynep Dilan Turgut, Aqsa Mushtaq, Ameer Fawad Zahoor, Ali Irfan, Magdi E. A. Zaki

published 26 Aug 2025

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Evaluating the MT-CYB and MT-ATP6 variations in COVID-19 patients: A case-control study

Gazi Nurun Nahar Sultana, Md Zahid Hasan, Arindita Das, Robin Sarker, Hossain Uddin Shekhar, Rokeya Begum

published 21 Aug 2025

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Harnessing subtractive genomics for drug target identification in Streptococcus agalactiae serotype v (atcc baa-611 / 2603 v/r) strain: An in-silico approach

Ashiqur Rahman Khan Chowdhury, Farjana Yasmin Tithi, Nusrat Zahan Bhuiyan, Afsana Ferdousi Ishita, Md Mahmodul Hasan Sohel

published 21 Aug 2025

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Common molecular links and therapeutic insights between type 2 diabetes and kidney cancer

Reaz Ahmmed, Mohammad Amirul Islam, Md. Taohid Hasan, Arnob Sarker, Md. Ahad Ali, Md. Saiful Islam, Mst. Zafrin Sultana, Md. Nurul Haque Mollah

published 20 Aug 2025

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Amino acid residues 655 and 969 in the spike protein of Omicron subvariant BA.1 control use of TMPRSS2 versus Cathepsin L dependent entry pathways and cell tropism

Cheila Rocha, Prerna Arora, Lu Zhang, Anzhalika Sidarovich, Luise Graichen, Anna-Sophie Moldenhauer, Stefan Pöhlmann, Markus Hoffmann

published 14 Aug 2025

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Gout management: Patent analytics and computational drug design explores URAT1 inhibitors landscape

Jiaxin Zhang, Liang Hong, Wenfei Xu, Xin Zhang, Huina Fu, Xinan Song, Jing Zhao

published 13 Aug 2025

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Revealing bioremediation potential of novel indigenous bacteria from oil-contaminated sites in the UAE: A combined bioinformatics and experimental validation

Sara Awni Alkhatib, Sagar Arya, Deema Islayem, Runyararo Memory Nyadzayo, Sharmarke Mohamed, Ahmed F. Yousef, Hector H. Hernandez, Anna-Maria Pappa

published 12 Aug 2025

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Changes in the pulmonary surfactant in patients with mild to moderate COVID-19

Spela Kokelj, Per Larsson, Emilia Viklund, Hatice Koca, Hanna Slogén, Lowie Vanfleteren, Bo Nilsson, Karin Fromell, Johan Westin, Anna-Carin Olin

published 07 Aug 2025

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ProProtein: A platform for fully automated identification of 3D structure fluctuations in MD simulation trajectories

Krzysztof Mularski, Dawid Makalowski, Marcin Okonek, Daria Glebowska, Mateusz Swiercz, Karol Kamel, Jacek Blazewicz, Maciej Antczak, Aleksandra Swiercz

published 06 Aug 2025

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