Targeting Acute Myeloid Leukemia with 1,2,4-triazolo[4,3-b]pyridazine derivatives: a molecular docking, dynamics, and ADMET approach.

Vincent A Obakachi, Krishna K Govender, Penny P Govender

Abstract read

In one paragraph

Article in In silico pharmacology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it

0cells of the map it votes in

2citing 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

2 citing papers in PubMed.

Toxicological investigation of mycotoxin contaminants and antibiotic residues associated with the poultry industry and their impact on human health.RSC advances · 2026
Article
Molecular insights into the bioactivity of H-thiazine compounds against breast cancer cells: a computational study.In silico pharmacology · 2026
Article

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

3 authors.

Vincent A ObakachiDepartment of Chemical Sciences, University of Johannesburg, Doornfontein Campus, P.O. Box 17011, Johannesburg, 2028 South Africa.ORCID 0000-0002-6151-7009

Krishna K GovenderDepartment of Chemical Sciences, University of Johannesburg, Doornfontein Campus, P.O. Box 17011, Johannesburg, 2028 South Africa.ORCID 0000-0002-9058-1675

Penny P GovenderDepartment of Chemical Sciences, University of Johannesburg, Doornfontein Campus, P.O. Box 17011, Johannesburg, 2028 South Africa.ORCID 0000-0002-3011-6675

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Acute Myeloid Leukemia (AML) remains a critical therapeutic challenge, warranting the development of novel inhibitors targeting essential survival proteins such as Myeloid Cell Leukemia-1 (Mcl-1). In this purely computational study, a series of 1,2,4-triazolo[4,3-b]pyridazine derivatives were assessed for their potential as Mcl-1 inhibitors through molecular docking, molecular dynamics (MD) simulations, quantum chemical calculations, and ADMET profiling. Docking identified compounds Graphical abstract: Supplementary Information: The online version contains supplementary material available at 10.1007/s40203-025-00418-1.

Indexed as

1,2,4-triazolo[4,3-b]pyridazineAcute Myeloid LeukemiaADMET profilingMcl-1 inhibitorsMolecular dockingMolecular dynamics

Identifiers

PMID40979648

DOI10.1007/s40203-025-00418-1

PMCPMC12443659

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Registered trials

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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 OpenQuestion graph.