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 …
Adaptability to the environment of protease by secondary structure changes and application to enzyme-selective hydrolysis
BR Wang, WX Zhi, SY Han, HF Zhao, YX Liu… - International Journal of …, 2024 - Elsevier
The reactions involving enzymes are significantly influenced by various environmental
factors. Clarity of how the activity and structure of proteases impact their function is crucial for …
factors. Clarity of how the activity and structure of proteases impact their function is crucial for …
Investigate oxoazolidine-2, 4-dione based eutectic mixture via DFT calculations and SAR
In this work, DFT calculations for the designed eutectic mixtures (EMs) using oxoazolidine 2,
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …
4-dione (OZD) and zinc chloride (ZnCl2) are done. The interaction between the hydrogen …
In silico evaluation of binding of 2-deoxy-D-glucose with mpro of nCoV to combat COVID-19
COVID-19 has threatened the existence of humanity andthis infection occurs due to SARS-
CoV-2 or novel coronavirus, was first reported in Wuhan, China. Therefore, there is a need …
CoV-2 or novel coronavirus, was first reported in Wuhan, China. Therefore, there is a need …
The Three-Dimensional Reference Interaction Site Model Approach as a Promising Tool for Studying Hydrated Viruses and Their Complexes with Ligands
MV Fedotova, GN Chuev - International Journal of Molecular Sciences, 2024 - mdpi.com
Viruses are the most numerous biological form living in any ecosystem. Viral diseases affect
not only people but also representatives of fauna and flora. The latest pandemic has shown …
not only people but also representatives of fauna and flora. The latest pandemic has shown …
Exploration of DFT and TD-DFT computation to investigate the interaction between paracetamol and lithium or its compounds
MB Singh, P Bhagat, P Jain, P Singh - Journal of Molecular Liquids, 2023 - Elsevier
Paracetamol is a commonly used antipyretic drug and its consumption drastically was
increased during the COVID-19 times as fever was one of the symptoms. The excessive …
increased during the COVID-19 times as fever was one of the symptoms. The excessive …
Fragment-based design of α-cyanoacrylates and α-cyanoacrylamides targeting Dengue and Zika NS2B/NS3 proteases
GG Vilela, WF dos Santos Silva… - New Journal of …, 2022 - pubs.rsc.org
Viruses belonging to the Flaviviridae family account for millions of cases of infections
worldwide, mainly Dengue (DENV) and Zika (ZIKV) viruses. Both mosquito-borne …
worldwide, mainly Dengue (DENV) and Zika (ZIKV) viruses. Both mosquito-borne …
Coumarin-based derivatives targeting Trypanosoma cruzi cruzain and Trypanosoma brucei cathepsin L-like proteases
JA Nunes, FN da Silva, EB da Silva… - New Journal of …, 2023 - pubs.rsc.org
The protozoa, Trypanosoma cruzi (etiological agent of Chagas diseases–also named
American trypanosomiasis) and T. brucei (causative agent of human African …
American trypanosomiasis) and T. brucei (causative agent of human African …
Insights on Microsomal Prostaglandin E2 Synthase 1 (mPGES-1) Inhibitors using Molecular Dynamics and MM/PBSA Calculations
IJ dos Santos Nascimento… - Letters in Drug …, 2024 - ingentaconnect.com
Background: Despite being a normal body response against invading agents, inflammation,
when exaggerated, needs to be controlled to minimize damage to the body. There are …
when exaggerated, needs to be controlled to minimize damage to the body. There are …
Preclinical data on morpholine (3, 5-di-tertbutyl-4-hydroxyphenyl) methanone induced anxiolysis
IB Cabral, CV de Lima Moreira, ACC Rodrigues… - Naunyn-Schmiedeberg's …, 2023 - Springer
Trimetozine is used to be indicated for the treatment of mental illnesses, particularly anxiety.
The present study provides data on the pharmacological profile of trimetozine derivative …
The present study provides data on the pharmacological profile of trimetozine derivative …