Novel small molecule therapeutic agents for Alzheimer disease: Focusing on BACE1 and multi-target directed ligands

A Iraji, M Khoshneviszadeh, O Firuzi… - Bioorganic …, 2020 - Elsevier
Alzheimer's Disease (AD) is a progressive neurodegenerative disorder that effects 50 million
people worldwide. In this review, AD pathology and the development of novel therapeutic …

[HTML][HTML] In silico study of traditional Chinese medicinal compounds targeting alzheimer's disease amyloid beta-peptide (1–42)

VN Kumar, T Tamilanban, TS Sultana, K Manasa… - Chemical Physics …, 2023 - Elsevier
The objective of this study is to recognize the potential traditional Chinese medicinal
compound by virtual screening and docking analysis for the amyloid-beta disaggregation …

Virtual Screening Using a Ligand-based Pharmacophore Model from Ashitaba (Angelica keiskei K.) Isolates and Molecular Docking to Obtained New Candidates as α …

A Yuliantini, S Ocktavyanie… - Tropical Journal of …, 2024 - search.ebscohost.com
Diabetes mellitus (DM) is a serious, long-term disease when the pancreas doesn't make
enough insulin or when the body can't use the insulin it makes well. Type 2 Diabetes …

Stable Cavitation Interferes with Aβ16–22 Oligomerization

VH Man, X He, J Wang - Journal of chemical information and …, 2022 - ACS Publications
Ultrasound and microbubbles are used for many medical applications nowadays. Scanning
ultrasound can remove amyloid-β (Aβ) aggregates in the mouse brain and restores memory …

Homology modeling and molecular dynamic simulation of UDP-N-acetylmuramoyl-l-alanine-d-glutamate ligase (MurD) from Mycobacterium tuberculosis H37Rv using …

MA Isa - Computational Biology and Chemistry, 2019 - Elsevier
The present study aimed to identify the prospective inhibitors of MurD, a cytoplasmic enzyme
that catalyzes the addition of d-glutamate to the UDP-N-acetylmuramoyl-l-alanine nucleotide …

Introducing virtual oligomerization inhibition to identify potent inhibitors of Aβ oligomerization

VH Man, X He, B Ji, S Liu, XQ Xie… - Journal of Chemical …, 2020 - ACS Publications
Amyloid-β (Aβ) oligomers are known as the most toxic form of Aβ peptides, and they are a
major contributor to Alzheimer's disease. Therefore, developing antagonist screening …

In silico identification of potential inhibitors against shikimate dehydrogenase through virtual screening and toxicity studies for the treatment of tuberculosis

MA Isa, RS Majumdar, S Haider - International Microbiology, 2019 - Springer
The present study attempts to identify the novel inhibitors of shikimate dehydrogenase (SD),
the enzyme that catalyzes the fourth reaction in the shikimate pathway, through virtual …

[HTML][HTML] Molecular docking based screening of Listeriolysin-O for improved inhibitors

S Ghafari, M Komeilian, M sadat Hashemi… - …, 2017 - ncbi.nlm.nih.gov
Listeriolysine-O (LLO) is a 50KDa protein responsible for Listeria monocytogenes
pathogenicity. The structure of LLO (PDB ID: 4CDB) with domains D1 to D4 is known …

Computer-aided drug design based on comparative modeling, molecular docking and molecular dynamic simulation of Polyphosphate kinase (PPK) from …

M Alhaji Isa, R Singh Majumdar - Journal of Proteins and Proteomics, 2019 - Springer
This study aimed to identify compounds that are capable of inhibiting polyphosphate kinase
(PPK), the protein that shares a similar pathway with the target of isoniazid (INH) in the …

[HTML][HTML] Computer-Aided Multi-Target Management of Emergent Alzheimer's Disease

H Kim, H Han - Bioinformation, 2018 - ncbi.nlm.nih.gov
Alzheimer's disease (AD) represents an enormous global health burden in terms of human
suffering and economic cost. AD management requires a shift from the prevailing paradigm …