Key topics in molecular docking for drug design

PHM Torres, ACR Sodero, P Jofily… - International journal of …, 2019 - mdpi.com
Molecular docking has been widely employed as a fast and inexpensive technique in the
past decades, both in academic and industrial settings. Although this discipline has now had …

Drugs for the treatment of Zika virus infection

JA Bernatchez, LT Tran, J Li, Y Luan… - Journal of medicinal …, 2019 - ACS Publications
Zika virus is an emerging flavivirus that causes the neurodevelopmental congenital Zika
syndrome and that has been linked to the neuroinflammatory Guillain–Barré syndrome. The …

Fragment linking strategies for structure-based drug design

A Bancet, C Raingeval, T Lomberget… - Journal of Medicinal …, 2020 - ACS Publications
Fragment-based drug discovery is a strategy widely used in both academia and
pharmaceutical companies to generate small-molecule protein inhibitors and drug …

Chemical biology and medicinal chemistry of RNA methyltransferases

TR Fischer, L Meidner, M Schwickert… - Nucleic Acids …, 2022 - academic.oup.com
RNA methyltransferases (MTases) are ubiquitous enzymes whose hitherto low profile in
medicinal chemistry, contrasts with the surging interest in RNA methylation, the arguably …

Recent advances in antivirals for Japanese encephalitis virus

Y Zhu, S Chen, Q Lurong, Z Qi - Viruses, 2023 - mdpi.com
Culex mosquitoes are the primary vectors of the Japanese encephalitis virus (JEV). Since its
discovery in 1935, Japanese encephalitis (JE), caused by JEV, has posed a significant …

Flavivirus enzymes and their inhibitors

E Knyazhanskaya, MC Morais, KH Choi - The Enzymes, 2021 - Elsevier
Flaviviruses such as dengue, Japanese encephalitis, West Nile, Yellow Fever and Zika
virus, cause viral hemorrhagic fever and encephalitis in humans. However, antiviral …

Recent advances in the development of methyltransferase (MTase) inhibitors against (re) emerging arboviruses diseases dengue and Zika

T Delgado-Maldonado, A Moreno-Herrera… - European Journal of …, 2023 - Elsevier
Emerging and/or re-emerging viral diseases such as dengue and Zika are a worldwide
concern. Therefore, new antiviral therapeutics are necessary. In this sense, a non-structural …

ChemoDOTS: a web server to design chemistry-driven focused libraries

L Hoffer, G Charifi-Hoareau, S Barelier… - Nucleic Acids …, 2024 - academic.oup.com
In drug discovery, the successful optimization of an initial hit compound into a lead molecule
requires multiple cycles of chemical modification. Consequently, there is a need to efficiently …

Discovery of dehydroandrographolide derivatives with C19 hindered ether as potent anti-ZIKV agents with inhibitory activities to MTase of ZIKV NS5

W Qian, GF Zhou, X Ge, JX Xue, CB Zheng… - European Journal of …, 2022 - Elsevier
Infection by Zika virus (ZIKV), a mosquito-transmitted arbovirus and a member of Flavivirus,
could make pediatric microcephaly and Guillain–Barré syndrome, which remains an …

Non-structural protein 5 (NS5) as a target for antiviral development against established and emergent flaviviruses

PO Fernandes, MA Chagas, WR Rocha… - Current Opinion in …, 2021 - Elsevier
Flaviviruses are among the most critical pathogens in tropical regions and cause a growing
number of severe diseases in developing countries. The development of antiviral …