Survey of similarity-based prediction of drug-protein interactions

C Wang, L Kurgan - Current medicinal chemistry, 2020 - ingentaconnect.com
Therapeutic activity of a significant majority of drugs is determined by their interactions with
proteins. Databases of drug-protein interactions (DPIs) primarily focus on the therapeutic …

[HTML][HTML] Moringa oleifera leaf extract induces osteogenic-like differentiation of human osteosarcoma SaOS2 cells

MI Khan, S Siddiqui, MA Barkat, FS Alhodieb… - Journal of Traditional …, 2022 - Elsevier
Introduction Moringa oleifera is known as a 'natural nutrition of the tropics' because it
provides vital nutritional supplements and a variety of pharmacological benefits. The focus of …

Pulsed electric fields act on tryptophan to inactivate α-amylase

A Guionet, T Fujiwara, H Sato, K Takahashi… - Journal of …, 2021 - Elsevier
Enzyme inactivation is a common industrial step of food preservation. Conventional method
is based on heating, thus reduce organoleptic property and virtues of the products. We …

[HTML][HTML] In silico analyses of a promising drug candidate for the treatment of amyotrophic lateral sclerosis targeting superoxide dismutase I protein

GRC Pereira, BA Abrahim-Vieira, JF de Mesquita - Pharmaceutics, 2023 - mdpi.com
Amyotrophic lateral sclerosis (ALS) is the most prevalent motor neuron disorder in adults,
which is associated with a highly disabling condition. To date, ALS remains incurable, and …

GUIDE: A GUI for automated quantum chemistry calculations

A Sarkar, L Sessa, F Marrafino… - Journal of Computational …, 2023 - Wiley Online Library
The accuracy of quantum mechanics (QM) simulations depends heavily on the quality of
initial input files. Despite the popularity of QM simulation packages, achieving precise results …

[HTML][HTML] Evaluating biofilm inhibitory potential in fish pathogen, Aeromonas hydrophila by agricultural waste extracts and assessment of aerolysin inhibitors using in …

M Arumugam, DB Manikandan, SK Marimuthu… - Antibiotics, 2023 - mdpi.com
Aeromonas hydrophila, an opportunistic bacteria, causes several devastating diseases in
humans and animals, particularly aquatic species. Antibiotics have been constrained by the …

In silico screening, synthesis, characterization and biological evaluation of novel anticancer agents as potential COX-2 inhibitors

A Sahu, D Pradhan, B Veer, S Kumar, R Singh… - DARU Journal of …, 2023 - Springer
Background Cyclooxygenase enzyme is frequently overexpressed in various types of cancer
and found to play a crucial role in poor prognosis in cancer patients. In current research, we …

[HTML][HTML] Network pharmacology and experimental verification based research into the effect and mechanism of Aucklandiae Radix–Amomi Fructus against gastric …

S Song, J Zhou, Y Li, J Liu, J Li, P Shu - Scientific reports, 2022 - nature.com
To investigate the mechanism of the Aucklandiae Radix–Amomi Fructus (AR–AF) herb pair
in treating gastric cancer (GC) by using network pharmacology and experimental …

Camellia sinensis mediated synthesis and characterization of nanoparticles and applications to control Gram-negative ESBL producing antibiotic resistant bacterial …

T Juzer, S Ranjani, S Hemalatha - Food Bioscience, 2022 - Elsevier
Camellia sinensis (tea), has numerous pharmacotherapeutic benefits. The majority of its
phytocompounds exhibit antibacterial properties, which are effective in treating a range of …

Gating interactions steer loop conformational changes in the active site of the L1 metallo-β-lactamase

Z Zhao, X Shen, S Chen, J Gu, H Wang, MF Mojica… - Elife, 2023 - elifesciences.org
Abstract β-Lactam antibiotics are the most important and widely used antibacterial agents
across the world. However, the widespread dissemination of β-lactamases among …