A Computational Study on Selected Alkaloids as SARS‐CoV‐2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics …
Despite treatments and vaccinations, it remains difficult to develop naturally occurring
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
[HTML][HTML] Exploration of cyclooxygenase-2 inhibitory peptides from walnut dreg proteins based on in silico and in vitro analysis
Z Hong, J Xie, L Tao, JJ Dai, T Li, L Zhang, Y Bai… - Food Science and …, 2024 - Elsevier
Walnut dreg protein hydrolysates (WDPHs) exhibit a variety of biological activities, however,
the cyclooxygenase-2 (COX-2) inhibitory peptide of WDPHs remain unclear. The aim of this …
the cyclooxygenase-2 (COX-2) inhibitory peptide of WDPHs remain unclear. The aim of this …
Exploring molecular docking with MM-GBSA and molecular dynamics simulation to predict potent inhibitors of cyclooxygenase (COX-2) enzyme from terpenoid-based …
Abstract Cyclooxygenase 2 (COX-2), the key enzyme involved in prostaglandin (PGs)
production, is known to take part in inflammatory and immune responses. Though COX-2 …
production, is known to take part in inflammatory and immune responses. Though COX-2 …
Bioactivity of Novel Pyrazole-Thiazolines Scaffolds against Trypanosoma cruzi: Computational Approaches and 3D Spheroid Model on Drug Discovery for Chagas …
LS Lara, GC Lechuga, LMR Orlando, BS Ferreira… - Pharmaceutics, 2022 - mdpi.com
Chagas disease, a century-old disease that mainly affects the impoverished population in
Latin America, causes high morbidity and mortality in endemic countries. The available …
Latin America, causes high morbidity and mortality in endemic countries. The available …
Annonaceous acetogenins as promising DNA methylation inhibitors to prevent and treat leukemogenesis – an in silico approach
U Subaramaniyam, D Ramalingam… - Journal of …, 2023 - Taylor & Francis
Leukemia is a haematological malignancy affecting blood and bone marrow, ranking 10th
among the other common cancers. DNA methylation is an epigenetic dysregulation that …
among the other common cancers. DNA methylation is an epigenetic dysregulation that …
[PDF][PDF] Structural, characterization, biological activity, and DFT studies on some novel ruthenium 2-aminomethyl benzimidazole complexes
Novel 2-aminomethyl benzimidazole (AMBI) ruthenium complexes were synthesized and
thoroughly characterized by elemental analysis, spectroscopy (FTIR, 1HNMR, UV–Vis) …
thoroughly characterized by elemental analysis, spectroscopy (FTIR, 1HNMR, UV–Vis) …
Synthesis by Microwave Irradiation, Molecular Structural Analysis and Trypanocidal Activity of Novel Pyrazole-tetrahydropyrimidine Derivatives
CN Pereira, JA de Oliveira… - Current Organic …, 2023 - ingentaconnect.com
Background: A series of new eight 2-(1-aryl-3-methyl-1H-pyrazol-4-yl)-1, 4, 5, 6-
tetrahydropyrimidines 1 (ah) were synthesized by microwave irradiation technique. In vitro …
tetrahydropyrimidines 1 (ah) were synthesized by microwave irradiation technique. In vitro …
Synthesis by microwave irradiation of new pyrazole-imidazoline-pyrimidine analogs: Physicochemical and photophysical properties and their biological activity …
CN Pereira, JO Rosa, L da Silva Lara… - Journal of Molecular …, 2023 - Elsevier
Pyrazole derivatives are pharmacologically important agents that possess a wide spectrum
of biological activities. Thus, the optimization of their synthetic approaches is of great interest …
of biological activities. Thus, the optimization of their synthetic approaches is of great interest …
[PDF][PDF] Food Science and Human Wellness
H Gaoa, C Shua, Y Wanga, J Tiana, Y Langa, C Jina… - 2023 - researchgate.net
The black chokeberry is rich in polyphenols, including flavonoids with anthocyanins,
flavanols and flavonols as the main components and a variety of phenolic acids represented …
flavanols and flavonols as the main components and a variety of phenolic acids represented …