Evidence map›Paper›PMID 40358829›Full record

ArticleMolecular diversity2026

Identifying potent inhibitors for Mycobacterium tuberculosis MabA (FabG1).

Debashis Panda, Jitendra Maharana, Arjun Sharma, Sachin B Wadavrao, Abhishek Chowdhury, Monjur Ahmed Laskar, Mahendra K Modi, Manabendra D Choudhury

Abstract read
PubMed Publisher
In one paragraph

Article 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

8 authors.

Debashis PandaDepartment of Life Science and Bioinformatics, Assam University, Silchar, Assam, 788011, India.ORCID https://orcid.org/0000-0002-7412-3615
Jitendra MaharanaDepartment of Agricultural Biotechnology, Assam Agricultural University, Jorhat, Assam, 785013, India.ORCID https://orcid.org/0000-0003-4628-5956
Arjun SharmaDepartment of Chemistry and Biochemistry, Purdue University Fort Wayne, Fort Wayne, IN, 46805, USA.ORCID https://orcid.org/0000-0003-1062-4215
Sachin B WadavraoOBC Division, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad, Telangana, 500007, India.
Abhishek ChowdhuryDepartment of Life Science and Bioinformatics, Assam University, Silchar, Assam, 788011, India.
Monjur Ahmed LaskarBioinformatics and Computational Biology Centre, Assam University, Silchar, Assam, 788011, India.
Mahendra K ModiDepartment of Agricultural Biotechnology, Assam Agricultural University, Jorhat, Assam, 785013, India.ORCID https://orcid.org/0000-0001-5509-4612
Manabendra D ChoudhuryDepartment of Life Science and Bioinformatics, Assam University, Silchar, Assam, 788011, India. drmdc@bioinfoaus.ac.in.ORCID https://orcid.org/0000-0002-9472-0572

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The surge in drug-resistant Mycobacterium tuberculosis (Mtb) strains poses formidable challenges for tuberculosis treatment, emphasizing the pressing need to explore novel therapeutic agents. Mycolic acids, essential for bacterial cell wall formation, are synthesized by two fatty acid synthase (FAS) systems: FAS-I and FAS-II. MabA, an enzyme in the FAS-II system, is vital in the second step of fatty acid biosynthesis and is responsible for the elongation of mycolic acids. In this study, we screened 1,792,771 compounds from seven different databases to screen prospective inhibitors of MabA, an emerging therapeutic target for Mtb. Using a combination of molecular docking, all-atom molecular dynamics simulations, and binding free energy calculations, we identified 48 novel lead compounds from five distinct classes that exhibit significant binding activity against MabA. Of these, 47 compounds demonstrated significantly higher MM/PBSA binding free energy than the only reported MabA inhibitor, compound 29. Altogether, our findings mark a significant advancement towards the rational design of novel therapeutics aimed at combating mycobacterial infections and overcoming drug resistance.

Indexed as

Antitubercular AgentsBacterial ProteinsEnzyme InhibitorsMycobacterium tuberculosisDrug DiscoveryMolecular Docking SimulationMolecular Dynamics SimulationProtein BindingAntitubercular AgentsBacterial ProteinsEnzyme InhibitorsFAS–II systemMabAMD simulationMycobacterium tuberculosisVirtual screening

Identifiers

PMID40358829

What OpenQuestion 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 OpenQuestion graph.