Advances in computational methods to discover new NS2B-NS3 inhibitors useful against dengue and Zika viruses

IJ dos Santos Nascimento… - Current Topics in …, 2022 - ingentaconnect.com
The Flaviviridae virus family consists of the genera Hepacivirus, Pestivirus, and Flavivirus,
with approximately 70 viral types that use arthropods as vectors. Among these diseases …

A review on structural genomics approach applied for drug discovery against three vector-borne viral diseases: Dengue, Chikungunya and Zika

S Sundar, S Piramanayagam, J Natarajan - Virus Genes, 2022 - Springer
Structural genomics involves the advent of three-dimensional structures of the genome
encoded proteins through various techniques available. Numerous structural genomics …

Structure‐Based Macrocyclization of Substrate Analogue NS2B‐NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses

NJ Braun, JP Quek, S Huber, J Kouretova… - …, 2020 - Wiley Online Library
A series of cyclic active‐site‐directed inhibitors of the NS2B‐NS3 proteases from Zika
(ZIKV), West Nile (WNV), and dengue‐4 (DENV4) viruses has been designed. The most …

Dynophore-based approach in virtual screening: A case of human dna topoisomerase IIα

M Janežič, K Valjavec, KB Loboda, B Herlah… - International Journal of …, 2021 - mdpi.com
In this study, we utilized human DNA topoisomerase IIα as a model target to outline a
dynophore-based approach to catalytic inhibitor design. Based on MD simulations of a …

Structure-based virtual screening: identification of a novel NS2B-NS3 protease inhibitor with potent antiviral activity against Zika and dengue viruses

HJ Shin, MH Kim, JY Lee, I Hwang, GY Yoon, HS Kim… - Microorganisms, 2021 - mdpi.com
Zika virus (ZIKV), which is associated with severe diseases in humans, has spread rapidly
and globally since its emergence. ZIKV and dengue virus (DENV) are closely related, and …

Amidoxime prodrugs convert to potent cell-active multimodal inhibitors of the dengue virus protease

C Swarbrick, V Zogali, KWK Chan, D Kiousis… - European Journal of …, 2021 - Elsevier
The flavivirus genus of the Flaviviridae family comprises Dengue, Zika and West-Nile viruses
which constitute unmet medical needs as neither appropriate antivirals nor safe vaccines …

Targeting the protease of West Nile virus

S Voss, C Nitsche - RSC Medicinal Chemistry, 2021 - pubs.rsc.org
West Nile virus infections can cause severe neurological symptoms. During the last 25
years, cases have been reported in Asia, North America, Africa, Europe and Australia …

Boroleucine‐Derived Covalent Inhibitors of the ZIKV Protease

NJ Braun, S Huber, LC Schmacke, A Heine… - …, 2023 - Wiley Online Library
The Zika virus (ZIKV) remains a potential threat to the public health due to the lack of both an
approved vaccination or a specific treatment. In this work, a series of peptidic inhibitors of the …

Nanoparticular inhibitors of flavivirus proteases from Zika, West Nile and dengue virus are cell-permeable antivirals

B Schroeder, P Demirel, C Fischer… - ACS Medicinal …, 2021 - ACS Publications
Viral proteases have been established as drug targets in several viral diseases including
human immunodeficiency virus and hepatitis C virus infections due to the essential role of …

[PDF][PDF] In-silico Design of Oxadiazole Hybrids as Potential Inhibitors of Dengue Virus NS2B-NS3 Protease

S Adawara, G Adamu, P Mamza, I Abdulkadir - Adv. J. Chem. Sec. A., 2022 - sid.ir
Dengue virus is an important class of virus of the Flavivirus family that is accountable for the
major cause of dengue fever, which could progress to dengue shock syndrome (DSS) which …