Metabolic and cellular compartments of acetyl-CoA in the healthy and diseased brain

A Jankowska-Kulawy, J Klimaszewska-Łata… - International Journal of …, 2022 - mdpi.com
The human brain is characterised by the most diverse morphological, metabolic and
functional structure among all body tissues. This is due to the existence of diverse neurons …

Advances in docking

VB Sulimov, DC Kutov… - Current medicinal …, 2019 - ingentaconnect.com
Background: Design of small molecules which are able to bind to the protein responsible for
a disease is the key step of the entire process of the new medicine discovery. Atomistic …

Acetylcholine signaling system in progression of lung cancers

JR Friedman, SD Richbart, JC Merritt, KC Brown… - Pharmacology & …, 2019 - Elsevier
The neurotransmitter acetylcholine (ACh) acts as an autocrine growth factor for human lung
cancer. Several lines of evidence show that lung cancer cells express all of the proteins …

The compromise of virtual screening and its impact on drug discovery

O Slater, M Kontoyianni - Expert opinion on drug discovery, 2019 - Taylor & Francis
Introduction: Docking and structure-based virtual screening (VS) have been standard
approaches in structure-based design for over two decades. However, our understanding of …

Proton pump inhibitors act with unprecedented potencies as inhibitors of the acetylcholine biosynthesizing enzyme—a plausible missing link for their association with …

R Kumar, A Kumar, A Nordberg… - Alzheimer's & …, 2020 - Wiley Online Library
Introduction Several pharmacoepidemiological studies indicate that proton pump inhibitors
(PPIs) significantly increase the risk of dementia. Yet, the underlying mechanism is not …

Mechanistic insight into the inhibition of choline acetyltransferase by proton pump inhibitors

ATK Baidya, B Das, B Devi, B Långström… - ACS Chemical …, 2023 - ACS Publications
Various pharmacoepidemiological investigational studies have indicated that Proton Pump
Inhibitors (PPIs) may increase the likelihood of developing Alzheimer's disease (AD) and …

Computational chemistry for the identification of lead compounds for radiotracer development

CJ Hsieh, S Giannakoulias, EJ Petersson, RH Mach - Pharmaceuticals, 2023 - mdpi.com
The use of computer-aided drug design (CADD) for the identification of lead compounds in
radiotracer development is steadily increasing. Traditional CADD methods, such as structure …

Photocatalytic hydrogen evolution via water splitting: A short review

Y Zhang, YJ Heo, JW Lee, JH Lee, J Bajgai, KJ Lee… - Catalysts, 2018 - mdpi.com
Photocatalytic H2 generation via water splitting is increasingly gaining attention as a viable
alternative for improving the performance of H2 production for solar energy conversion …

Virtual screening and biological activity evaluation of novel efflux pump inhibitors targeting AdeB

Y Tuo, Y Tang, R Yang, XM Zhao, M Luo, X Zhou… - International Journal of …, 2023 - Elsevier
The AdeABC efflux pump is an important mechanism causing multidrug resistance in
Acinetobacter baumannii, and its main component AdeB can recognize carbapenems …

The TLC-bioautography as a tool for rapid enzyme inhibitors detection-a review

B Legerská, D Chmelová, M Ondrejovič… - Critical Reviews in …, 2022 - Taylor & Francis
Microorganisms and plants can be important sources of many compounds with potential
pharmaceutical applications. Extraction of these matrices is one of the ways of identifying the …