Recent developments in molecular docking technology applied in food science: a review

X Tao, Y Huang, C Wang, F Chen… - … Journal of Food …, 2020 - academic.oup.com
Molecular docking is a theoretical simulation method based on bioinformatics, which studies
the interaction between molecules (such as ligands and receptors), and predicts their …

Emerging therapeutic potentials of dual‐acting MAO and AChE inhibitors in Alzheimer's and Parkinson's diseases

B Mathew, DGT Parambi, GE Mathew… - Archiv der …, 2019 - Wiley Online Library
No drug has been approved to prevent neuronal cell loss in patients suffering from
Parkinson's disease (PD) or Alzheimer's disease (AD); despite increased comprehension of …

Introduction of benzyloxy pharmacophore into aryl/heteroaryl chalcone motifs as a new class of monoamine oxidase B inhibitors

ST Sudevan, JM Oh, MA Abdelgawad… - Scientific reports, 2022 - nature.com
The inhibitory action of fifteen benzyloxy ortho/para-substituted chalcones (B1-B15) was
evaluated against human monoamine oxidases (hMAOs). All the molecules inhibited hMAO …

Biological investigation of N-methyl thiosemicarbazones as antimicrobial agents and bacterial carbonic anhydrases inhibitors

I D'Agostino, GE Mathew, P Angelini… - Journal of Enzyme …, 2022 - Taylor & Francis
The enormous burden of the COVID-19 pandemic in economic and healthcare terms has
cast a shadow on the serious threat of antimicrobial resistance, increasing the inappropriate …

Chalcones: Unearthing their therapeutic possibility as monoamine oxidase B inhibitors

P Guglielmi, B Mathew, D Secci, S Carradori - European Journal of …, 2020 - Elsevier
In the last years the continuous efforts in the development of novel and effective inhibitors of
human monoamine oxidases (hMAOs) promoted the discovery of new agents able to …

Development of isopropyl-tailed chalcones as a new class of selective MAO-B inhibitors for the treatment of Parkinson's disorder

S Kumar, JM Oh, MA Abdelgawad, MAS Abourehab… - ACS …, 2023 - ACS Publications
Thirteen isopropyl chalcones (CA1–CA13) were synthesized and evaluated for their
inhibitory activity against monoamine oxidase (MAO). All compounds inhibited MAO-B more …

Recent updates on structural insights of MAO-B inhibitors: A review on target-based approach

GS Baweja, S Gupta, B Kumar, P Patel, V Asati - Molecular Diversity, 2024 - Springer
Parkinson's disease is a neurodegenerative disorder characterized by slow movement,
tremors, and stiffness caused due to loss of dopaminergic neurons caused in the brain's …

Acetylcholinesterase and butyrylcholinesterase inhibitory activities of khellactone coumarin derivatives isolated from Peucedanum japonicum Thurnberg

JH Heo, BH Eom, HW Ryu, MG Kang, JE Park… - Scientific Reports, 2020 - nature.com
Cholinesterase (ChE) and monoamine oxidase (MAO) inhibitors have been attracted as
candidate treatments for Alzheimer's disease (AD). Fifteen khellactone-type coumarins from …

[HTML][HTML] A structural approach to investigate halogen substituted MAO-B inhibitors using QSAR modeling, molecular dynamics, and conceptual DFT analysis

N Maliyakkal, I Ahmad, S Kumar, ST Sudevan… - Journal of Saudi …, 2023 - Elsevier
Halogenated inhibitors showed robust, reversible, and selective monoamine oxidase-B
(MAO-B) inhibitory efficacy in candidates that were derived from them. Our team has …

Design, synthesis and biological evaluation of oxygenated chalcones as potent and selective MAO-B inhibitors

JM Oh, SC Baek, JP Lee, AR Tondo, O Nicolotti… - Bioorganic …, 2019 - Elsevier
The present study documents the synthesis of oxygenated chalcone (O1–O26) derivatives
and their abilities to inhibit monoamine oxidases. All 26 derivatives examined showed …