Evidence mapPaperPMID 36770672Full record

ArticleMolecules (Basel, Switzerland)2023

Coumarin-Based Sulfonamide Derivatives as Potential DPP-IV Inhibitors: Pre-ADME Analysis, Toxicity Profile, Computational Analysis, and In Vitro Enzyme Assay.

Pallavi Kishor Vawhal, Shailaja B Jadhav, Sumit Kaushik, Kahnu Charan Panigrahi, Chandan Nayak, Humaira Urmee, Sharuk L Khan, Falak A Siddiqui, Fahadul Islam, Aziz Eftekhari and 4 more

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
3.2field-weighted citation impact, top 8% of its field
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

6 citing papers in PubMed, 14 citations in OpenAlex.

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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

14 authors at 8 institutions in 5 countries.

Pallavi Kishor VawhalDepartment of Pharmaceutical Chemistry, PEA's Modern College of Pharmacy, Sector 21, Yamunanagar, Nigdi 411044, India.ORCID 0000-0001-6654-691X
Shailaja B JadhavDepartment of Pharmaceutical Chemistry, PEA's Modern College of Pharmacy, Sector 21, Yamunanagar, Nigdi 411044, India.
Sumit KaushikFaculty of Pharmacy, Raja Balwant Singh Engineering Technical Campus, Bichpuri, Agra 283105, India.
Kahnu Charan PanigrahiDepartment of Pharmaceutics, Gayatri Institute of Science and Technology, Gyan Vihar, Gunupur 765022, India.ORCID 0000-0003-3848-4533
Chandan NayakDepartment of Pharmaceutics, School of Pharmaceutical Education and Research, Berhampur University, Ganjam 760007, India.ORCID 0000-0002-5153-0672
Humaira UrmeeDepartment of Pharmaceutical Science, North South University, Dhaka 1229, Bangladesh.
Sharuk L KhanDepartment of Pharmaceutical Chemistry, N.B.S. Institute of Pharmacy, Ausa 413520, India.ORCID 0000-0001-6136-9774
Falak A SiddiquiDepartment of Pharmaceutical Chemistry, N.B.S. Institute of Pharmacy, Ausa 413520, India.
Fahadul IslamDepartment of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka 1207, Bangladesh.ORCID 0000-0002-8167-8264
Aziz EftekhariResearch Center for Pharmaceutical Nanotechnology, Biomedicine Institute, Tabriz University of Medical Sciences, Tabriz 51665118, Iran.ORCID 0000-0003-0274-4479
Abdullah R AlzahraniDepartment of Pharmacology and Toxicology, Faculty of Medicine, Umm Al-Qura University, Makkah 4089-6928, Saudi Arabia.ORCID 0000-0001-7782-0574
Mohd Fahami Nur AzlinaDepartment of Pharmacology, Faculty of Medicine, University Kebangsaan Malaysia, Jalan Yacob Latif, Kuala Lumpur 56000, Malaysia.ORCID 0000-0002-3458-0440
Md Moklesur Rahman SarkerDepartment of Pharmacy, State University of Bangladesh, 77 Satmasjid Road, Dhanmondi, Dhaka 1205, Bangladesh.
Ibrahim Abdel Aziz IbrahimDepartment of Pharmacology and Toxicology, Faculty of Medicine, Umm Al-Qura University, Makkah 4089-6928, Saudi Arabia.ORCID 0000-0001-5757-8653
Umm al-Qura University · SABerhampur University · INDaffodil International University · BDNorth South University · BDState University of Bangladesh · BDSwami Keshwanand Rajasthan Agricultural University · INTabriz University of Medical Sciences · IRUniversity Kebangsaan Malaysia Medical Centre · MY

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Recent research on dipeptidyl peptidase-IV (DPP-IV) inhibitors has made it feasible to treat type 2 diabetes mellitus (T2DM) with minimal side effects. Therefore, in the present investigation, we aimed to discover and develop some coumarin-based sulphonamides as potential DPP-IV inhibitors in light of the fact that molecular hybridization of many bioactive pharmacophores frequently results in synergistic activity. Each of the proposed derivatives was subjected to an in silico virtual screening, and those that met all of the criteria and had a higher binding affinity with the DPP-IV enzyme were then subjected to wet lab synthesis, followed by an in vitro biological evaluation. The results of the pre-ADME and pre-tox predictions indicated that compounds 6e, 6f, 6h, and 6m to 6q were inferior and violated the most drug-like criteria. It was observed that 6a, 6b, 6c, 6d, 6i, 6j, 6r, 6s, and 6t displayed less binding free energy (PDB ID: 5Y7H) than the reference inhibitor and demonstrated drug-likeness properties, hence being selected for wet lab synthesis and the structures being confirmed by spectral analysis. In the in vitro enzyme assay, the standard drug Sitagliptin had an IC

Indexed as

Diabetes Mellitus, Type 2Dipeptidyl-Peptidase IV InhibitorsDipeptidyl Peptidase 4Enzyme AssaysHumansMolecular Docking SimulationSulfonamidesDipeptidyl Peptidase 4Dipeptidyl-Peptidase IV InhibitorsSulfonamidesADMETcomputation analysiscoumarin-based sulfonamidedockingDPP-IVhypoglycemiain vitromolecular dockingSARsitagliptintoxicity

Identifiers

PMID36770672
PMCPMC9921777
OpenAlexW4317434280

What Socratic holds

Textmetadata
LicenceCC BY
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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.