Evidence mapPaperPMID 41817951Full record

ReviewMolecular diversity2026

Rational drug design and synthesis of novel bioactive molecules with oxygen heterocycles, including AChE and BChE inhibitory properties and SAR studies.

Rajarshi Nath, Sumel Ashique, Bhupender Nehra, Ishita Debnath, Suman Ghosh, Pooja A Chawla, Fatimah M Al-Salem, Sabina Yasmin, Md Sadique Hussain, Lakshminarayan Das and 6 more

Abstract readReview
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In one paragraph

Review in Molecular diversity, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

16 authors.

Rajarshi Nath *Department of Pharmaceutical Technology, Bharat Technology , Uluberia, Howrah, West Bengal, 711316, India.
Sumel Ashique *Department of Pharmaceutical Technology, Bharat Technology , Uluberia, Howrah, West Bengal, 711316, India.
Bhupender Nehra *Department of Pharmaceutical Sciences, Guru Jambheshwar University of Science and Technology, Hisar, Haryana, 125001, India.
Ishita DebnathDepartment of Pharmaceutical Chemistry, Bengal College of Pharmaceutical Sciences and Research, Durgapur, West Bengal, 713212, India.
Suman GhoshDepartment of Pharmaceutical Chemistry, Pharmaceutical Chemistry, Bengal College of Pharmaceutical Technology, Dubrajpur, West Bengal, 731123, India.
Pooja A ChawlaUniversity Institute of Pharmaceutical Sciences & Research, Baba Farid University of Health Sciences, Faridkot, Punjab, 151203, India.
Fatimah M Al-SalemDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Khalid University, 62529, Abha, Saudi Arabia.
Sabina YasminDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Khalid University, 62529, Abha, Saudi Arabia.
Md Sadique HussainUttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, Uttarakhand, 248007, India.
Lakshminarayan DasDepartment of Pharmaceutical Technology, Bharat Technology , Uluberia, Howrah, West Bengal, 711316, India.
Arka ChakrabortyDepartment of Pharmaceutical Technology, Bharat Technology , Uluberia, Howrah, West Bengal, 711316, India.
Aganta ChakrabortyDepartment of Pharmaceutical Technology, Bharat Technology , Uluberia, Howrah, West Bengal, 711316, India.
Sathvik Belagodu SridharRAK College of Pharmacy, RAK Medical and Health Sciences University, Ras Al Khaimah, UAE.
Joy DasSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, 144411, India.
Biplab DebnathDepartment of Pharmaceutical Technology, Bharat Technology , Uluberia, Howrah, West Bengal, 711316, India. biplab.d86@gmail.com.
Md Yousuf AnsariIbne Seena Pharmacy College, AMES Group of Institutions, Shahabad, Hardoi, Uttar Pradesh (U.P.), 241124, India. yousufniper@gmail.com.ORCID http://orcid.org/0000-0001-6365-7104

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Oxygen-containing heterocycles were reviewed as privileged scaffolds that had driven recent advances in rational drug design and synthetic methodology. The manuscript synthesized literature (2015-2025) on oxadiazoles, coumarins, morpholines, pyrans, furans, benzofurans and chromones and summarized how these scaffolds were engineered to optimize potency, selectivity and CNS drug-like properties. Mechanistic analyses demonstrated that oxygen atoms and carbonyl or ether functionalities consistently mediated key hydrogen-bonding and π-interactions within the catalytic anionic site (CAS) and peripheral anionic site (PAS) of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), rationalizing observed AChE/BChE SAR and dual-site binding. Representative medicinal chemistry campaigns were highlighted: coumarin and coumarin-hybrid series provided potent dual-site inhibitors; 1,2-oxadiazoles or 1,3,4-oxadiazoles produced sub to low-nanomolar AChE/BChE leads; morpholine-bearing scaffolds afforded favourable BBB permeability and mixed-type inhibition; and pyranone-carbamate hybrids delivered highly BChE-selective inhibitors with promising in vivo cognitive effects. Synthetic strategies (multicomponent reactions, metal-catalysed cyclizations and green/one-pot protocols) were reviewed and correlated with scaffold diversification and improved ADME profiles. The review concluded by identifying gaps limited unified docking/SAR databases and sparse translational safety data and proposed a workflow combining fragment-based design, dual-site targeting and early ADME profiling to accelerate lead optimisation toward clinically relevant cholinesterase modulators. This focused synthesis of structure activity, mechanism and synthetic access was intended to inform future heterocycle-centric programs against neurodegenerative targets.

Indexed as

AChEAnti-Alzheimer’sBChECholinesterase inhibitionOxygen heterocyclesSAR

Identifiers

PMID41817951

What Socratic holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.