The DOI matches its Crossref record; 28 of the 31 references it cites were found in a registry or an index.
Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies
Abstract
The synthesis of novel indolopyrazoline derivatives (P1-P4 and Q1-Q4) has been characterized and evaluated as potential anti-Alzheimer agents through in vitro Acetylcholinesterase (AChE) inhibition and radical scavenging activity (antioxidant) studies. Specifically, Q3 shows AChE inhibition (IC50: 0.68±0.13μM) with strong DPPH and ABTS radical scavenging activity (IC50: 13.77±0.25μM and IC50: 12.59±0.21μM), respectively. While P3 exhibited as the second most potent compound with AChE inhibition (IC50: 0.74±0.09μM) and with DPPH and ABTS radical scavenging activity (IC50: 13.52±0.62μM and IC50: 13.13±0.85μM), respectively. Finally, molecular docking studies provided prospective evidence to identify key interactions between the active inhibitors and the AChE that furthermore led us to the identification of plausible binding mode of novel indolopyrazoline derivatives. Additionally, in-silico ADME prediction using QikProp shows that these derivatives fulfilled all the properties of CNS acting drugs. This study confirms the first time reporting of indolopyrazoline derivatives as potential anti-Alzheimer agents.
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“Generally, the main task of insecticidal agents, such as the potential compounds examined during the current study, is to irreversibly inhibit the production of the AChE enzyme, which is responsible for acetylcholine’s hydrolysis, which consequently terminates the nerve impulse through acetylcholine.”
Citations
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Cited by
Obaid, R. J., Naeem, N., Mughal, E. U., Al‐Rooqi, M. M., Sadiq, A., Jassas, R. S., Moussa, Z., & Ahmed, S. A. (2022) · RSC Advances · doi:10.1039/d2ra03081k · Cited by 150
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Metadata
- Authors
- Chigurupati, S., Selvaraj, M., Mani, V., Selvarajan, K. K., Mohammad, J. I., Kaveti, B., Bera, H., Palanimuthu, V. R., Teh, L. K., & Salleh, M. Z.
- Affiliations
- AIMST University (MY)
- Universiti Teknologi MARA System (MY)
- Qassim University (SA)
- Corresponding author
- Chigurupati, Sridevi
- Selvaraj, Manikandan
- ORCID
- Venue
- Bioorganic Chemistry
- Publisher
- Elsevier BV
- Published
- 2016-08
- Volume
- 67
- Pages
- 9-17
- ISSN
- 0045-2068 (ISSN-L)
- OpenAlex
- W2388623795
- Cited by
- 82
- References
- 31
- Citations by year
- 2026: 5 · 2025: 4 · 2024: 12 · 2023: 11 · 2022: 14 · 2021: 11 · 2020: 6 · 2019: 6 · 2018: 6 · 2017: 7
- FWCI
- 5.13
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- www.elsevier.com/tdm/userlicense/1.0/ (tdm)
- Locations
- Bioorganic Chemistry (publishedVersion)
- PubMed (publishedVersion)
- Research Portal (Queen's University Belfast) (submittedVersion)
- Funders
- Ministry of Higher Education, Malaysia (600-RMI/TRGS 5/3 (1/2014)-3)
- Topics
- Health Sciences › Medicine › Pharmacology (medical) › Cholinesterase and Neurodegenerative Diseases
- Physical Sciences › Chemistry › Organic Chemistry › Heterocyclic Compound Synthesis and Bioactivity
- Life Sciences › Neuroscience › Cellular and Molecular Neuroscience › Alzheimer's disease research and treatments
- Keywords
- acetylcholinesterase inhibitors, anti-Alzheimer agents, Alzheimer's disease, antioxidant activity, free radical scavenging, DPPH radical, ABTS radical, molecular docking, ADME prediction, CNS drug candidates
- MeSH terms
- Acetylcholinesterase, Antioxidants, Cholinesterase Inhibitors, Dose-Response Relationship, Drug, Humans, Indoles, Pyrazoles, Structure-Activity Relationship, Molecular Structure, Molecular Docking Simulation
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- The paper
- Chigurupati, S., Selvaraj, M., Mani, V., Selvarajan, K. K., Mohammad, J. I., Kaveti, B., Bera, H., Palanimuthu, V. R., Teh, L. K., & Salleh, M. Z. (2016). Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies. Bioorganic Chemistry. https://doi.org/10.1016/j.bioorg.2016.05.002
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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