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2025
Formation of a triple complex of viral capsid protein 1 and two capsid-binding inhibitors explains synergistic interactions observed in combination studies with rhinoviruses
Biomedicine & Pharmacotherapy
Martina Richter, Maria Khrenova, Olga Riabova, Vadim Makarov, Michaela Schmidtke
2025
Integrated virtual screening and compound generation targeting H275Y mutation in the neuraminidase gene of oseltamivir-resistant influenza strains
Molecular Diversity
Wajihul Hasan Khan, Nida Khan, Manoj Kumar Tembhre, Zubbair Malik, Mairaj Ahmad Ansari, Avinash Mishra
2024
Molecular mechanism of rhinovirus escape from the Pyrazolo[3,4-d]pyrimidine capsid-binding inhibitor OBR-5-340 via mutations distant from the binding pocket: Derivatives that brake resistance
Antiviral Research
Martina Richter, Kristin Döring, Dieter Blaas, Olga Riabova, Maria Khrenova, Elena Kazakova, Anna Egorova, Vadim Makarov, Michaela Schmidtke
2024
Polyphenol rich sugarcane extract (PRSE) has potential antiviral activity against influenza A virus in vitro
Virology
Caolingzhi Tang, Julio Carrera Montoya, Svenja Fritzlar, Matthew Flavel, Sarah L. Londrigan, Jason M. Mackenzie
2024
Elucidation of bezlotoxumab binding specificity to toxin B in Clostridioides difficile
Journal of Biomolecular Structure and Dynamics
Kun Karnchanapandh, Chonnikan Hanpaibool, Kamonpan Sanachai, Thanyada Rungrotmongkol
2024
Molecular dynamics study on the effect of the N1 neuraminidase double mutant G147R/H274Y on oseltamivir sensitivity
RSC Advances
Ardiana Ilham Nurrohman, Hery Suwito, Ni Nyoman Tri Puspaningsih, Kautsar Ul Haq
2023
N‐glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study
Proteins: Structure, Function, and Bioinformatics
Alen T. Mathew, Anurag T. K. Baidya, Bhanuranjan Das, Bharti Devi, Rajnish Kumar
2022
Frequency and distribution of H1N1 influenza A viruses with oseltamivir‐resistant mutations worldwide before and after the 2009 pandemic
Journal of Medical Virology
Weixu Zhang, Hefeng Xu, Shuxuan Guan, Chengmin Wang, Guoying Dong
2022
Iterative Optimization and Structure–Activity Relationship Studies of Oseltamivir Amino Derivatives as Potent and Selective Neuraminidase Inhibitors via Targeting 150-Cavity
Journal of Medicinal Chemistry
Han Ju, Lingxin Hou, Fabao Zhao, Ying Zhang, Ruifang Jia, Laura Guizzo, Anna Bonomini, Jiwei Zhang, Zhen Gao, Ruipeng Liang, Chiara Bertagnin, Xiujie Kong, Xiuli Ma, Dongwei Kang, Arianna Loregian, Bing Huang, Xinyong Liu, Peng Zhan
2021
Identification of C5-NH2 Modified Oseltamivir Derivatives as Novel Influenza Neuraminidase Inhibitors with Highly Improved Antiviral Activities and Favorable Druggability
Journal of Medicinal Chemistry
Han Ju, N. Arul Murugan, Lingxin Hou, Ping Li, Laura Guizzo, Ying Zhang, Chiara Bertagnin, Xiujie Kong, Dongwei Kang, Ruifang Jia, Xiuli Ma, Ruikun Du, Vasanthanathan Poongavanam, Arianna Loregian, Bing Huang, Xinyong Liu, Peng Zhan
2021
Theoretical insights into the molecular mechanism of I117V mutation in neuraminidase mediated reduction of oseltamivir drug susceptibility in A/H5N1 influenza virus
PeerJ Physical Chemistry
Mohini Yadav, Manabu Igarashi, Norifumi Yamamoto