Molecular modelling studies of substituted indole derivatives as novel influenza a virus inhibitors
The emergence of drug-resistant strains motivate researchers to find new innovative anti-IAV
candidates with a different mode of action. In this work, molecular modelling strategies, such …
candidates with a different mode of action. In this work, molecular modelling strategies, such …
Inhibition of the Janus kinase protein (JAK1) by the A. Pyrethrum Root Extract for the treatment of Vitiligo pathology. Design, Molecular Docking, ADME-Tox, MD …
This study delves into the therapeutic efficacy of A. pyrethrum in addressing vitiligo, a
chronic inflammatory disorder known for inducing psychological distress and elevating …
chronic inflammatory disorder known for inducing psychological distress and elevating …
Chemoinformatics Study of Benzodiazepine-1, 2, 3-triazole Derivatives Targeting Butyrylcholinesterase
This study aims to assess the potential bioactivity of newly designed benzodiazepine-1, 2, 3-
triazole derivatives using in-silico methodologies, with a primary focus on elucidating their …
triazole derivatives using in-silico methodologies, with a primary focus on elucidating their …
Synthesis, spectroscopic analysis, DFT, docking, MD and antioxidant activity of tetrahydrocurcumin
Y Qiu, Y Wang, J Lu, Q Zhu, L Jia, F Lei… - Journal of …, 2023 - Taylor & Francis
In recent years, numerous researchers have made local chemical modifications to the
structure of curcumin while its basic structure remains unchanged, thus, producing curcumin …
structure of curcumin while its basic structure remains unchanged, thus, producing curcumin …
Computational Prediction of Spiropyrazoline Derivatives as Potential Acetylcholinesterase Inhibitors for Alzheimer's Disease Treatment
MAE Alaouy, M Alaqarbeh, SE Bahi… - Russian Journal of …, 2024 - Springer
Abstract Objective: Acetylcholinesterase (AChE) is a crucial enzyme in the nervous system
that catalyzes the degradation of acetylcholine, a neurotransmitter. Its primary role is to …
that catalyzes the degradation of acetylcholine, a neurotransmitter. Its primary role is to …
In silico screening of multi-target drugs against Alzheimer's Disease: a repurposing approach
MB Amato, DP Martinez, RS Dias, FN Höfs, FS Kremer - 2024 - researchsquare.com
Alzheimer's Disease (AD) is a neurodegenerative disease that causes the death of brain
cells and is the leading cause of dementia. The disease is characterized by the progressive …
cells and is the leading cause of dementia. The disease is characterized by the progressive …
Computational Study of Potential MAO-B Inhibitors Based on 4-(3-Nitrophenyl) Thiazol-2-ylhydrazone.
This study used a dataset comprising thirty-four derivatives of 4-(3-nitrophenyl) thiazol-2-
ylhydrazone as selective monoamine oxidase B (h-MAO-B) inhibitors to design more …
ylhydrazone as selective monoamine oxidase B (h-MAO-B) inhibitors to design more …