Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro
The dengue protease NS2B/NS3pro has been reported to adopt either an 'open'or a
'closed'conformation. We have developed a conformational filter that combines NMR with …
'closed'conformation. We have developed a conformational filter that combines NMR with …
Coumarin-based compounds as inhibitors of tyrosinase/tyrosine hydroxylase: Synthesis, kinetic studies, and in silico approaches
JA Nunes, RSA Araújo, FN Silva, J Cytarska… - International Journal of …, 2023 - mdpi.com
Cancer represents the main cause of morbidity and mortality worldwide, constituting a
serious health problem. In this context, melanoma represents the most aggressive and fatal …
serious health problem. In this context, melanoma represents the most aggressive and fatal …
Larvicidal activity, enzyme inhibitory effect, and molecular docking by essential oil, hydrolate, aqueous extract, and major compounds from the leaves of Eugenia …
AC da Silva, AM Marques, MR Figueiredo… - Industrial Crops and …, 2023 - Elsevier
Eugenia uniflora is a plant native to Brazil that has a wide geographical distribution and
produces a high content of essential oils. The aim of the present study was to investigate the …
produces a high content of essential oils. The aim of the present study was to investigate the …
Design, synthesis, antiviral evaluation, and In silico studies of acrylamides targeting nsP2 from Chikungunya virus
BG de Souza, S Choudhary, GG Vilela… - European Journal of …, 2023 - Elsevier
The Togaviridae family comprises several New-and Old-World Alphaviruses that have been
responsible for thousands of human illnesses, including the RNA arbovirus Chikungunya …
responsible for thousands of human illnesses, including the RNA arbovirus Chikungunya …
A consensus reverse docking approach for identification of a competitive inhibitor of acetyltransferase enhanced intracellular survival protein from Mycobacterium …
PF da Silva Santos-Júnior, V de Melo Batista… - Bioorganic & Medicinal …, 2024 - Elsevier
Tuberculosis (TB) is an infectious disease caused by Mycobacterium tuberculosis (Mtb),
which remains a significant global health challenge. The emergence of multidrug-resistant …
which remains a significant global health challenge. The emergence of multidrug-resistant …
Intermolecular interaction of azide, cyano and alkyne-N-phenethylacetamide dimers: Experimental and quantum chemical approach
A Cedillo–Cruz, DC Villalobos–López… - Journal of Molecular …, 2024 - Elsevier
In this study, we present the synthesis and structure characterization by single-crystal X-ray
Diffraction (SC-XRD), Ultraviolet Spectroscopy (UV), Fourier Transform Infrared …
Diffraction (SC-XRD), Ultraviolet Spectroscopy (UV), Fourier Transform Infrared …
Novel conformational filter allows unambiguous identification of specific conformational ensembles for the large NS3pro/NS2B Dengue-associated protease; …
The dengue virus protease NS3pro/NS2B, a key antiviral target for drug development, has
been previously reported to adopt either an “open” or a “closed” conformation in an …
been previously reported to adopt either an “open” or a “closed” conformation in an …