Evidence map›Paper›PMID 40183272›Full record

ArticleCurrent medicinal chemistry2026

Min Zheng, Ankush Kumar, Vishakha, Tapan Behl, Ravi Rawat, Pranay Wal, Ketki Rani, Mohit Agarwal, Raghwendra R Waghmode, Monica Gulati and 5 more

Abstract read
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In one paragraph

Article in Current medicinal chemistry, 2026. 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.

  1. Molecular docking-guided discovery ofPhysiology and molecular biology of plants : an international journal of functional plant biology · 2026
    Article
  2. 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

15 authors.

Min ZhengDepartment of Critical Care Medicine and Institutes for Systems Genetics, Frontiers Science Center for Disease-related Molecular Network, West China Hospital, Sichuan University, Chengdu, China.
Ankush KumarInstitute of Pharmaceutical Sciences, IET Bhaddal Technical Campus, Ropar, 140108, Punjab, India.
VishakhaInstitute of Pharmaceutical Sciences, IET Bhaddal Technical Campus, Ropar, 140108, Punjab, India.
Tapan BehlAmity School of Pharmaceutical Sciences, Amity University, Mohali, Punjab, India.
Ravi RawatSchool of Health Sciences and Technology, University of Petroleum and Energy Studies, Dehradun, Uttarakhand, India.
Pranay WalPranveer Singh Institute of Technology, Pharmacy, NH-19, Bhauti Raod, Kanpur, Uttar Pradesh, India.
Ketki RaniSGT College of Pharmacy, SGT University, Gurugram, Haryana, India.
Mohit AgarwalSchool of Medical & Allied Sciences, K.R. Mangalam University, Gurugram, 122103, India.
Raghwendra R WaghmodeKrishna Institute of Pharmacy, Krishna Vishwa Vidyapeeth, Deemed to be University (Formerly, Krishna Institute of Medical Sciences Deemed to be University), Karad, Maharashtra, India.
Monica GulatiSchool of Pharmaceutical Sciences, Lovely Professional University, Phagwara, Punjab, 1444411, India.
Azmat Ali KhanPharmaceutical Biotechnology Laboratory, Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Amer M AlanaziPharmaceutical Biotechnology Laboratory, Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia.
Seema RamniwasUniversity Centre for Research and Development, University of Biotechnology, Chandigarh University, Gharuan, Mohali, Punjab, India.
Bairong ShenDepartment of Critical Care Medicine and Institutes for Systems Genetics, Frontiers Science Center for Disease-related Molecular Network, West China Hospital, Sichuan University, Chengdu, China.
Rajeev Kumar SinglaDepartment of Critical Care Medicine and Institutes for Systems Genetics, Frontiers Science Center for Disease-related Molecular Network, West China Hospital, Sichuan University, Chengdu, China.ORCID 0000-0002-3353-7897

Funding

King Saud University, Riyadh, Saudi Arabia RSP121024R319
6 · The paper itself

Abstract

introductionThe rise of drug-resistant strains of Mycobacterium tuberculosis (Mtb) represents a substantial public health challenge. Current TB treatments involve the combination of several antibiotics and other agents. However, the development of drug resistance, reduced bioavailability, and elevated toxicity have rendered most of the drugs less effective.

methodsTo resolve this problem, the identification of novel anti-tuberculosis agents with novel mechanisms of action is the need of the hour. HsaA monooxygenase is an enzyme involved in cholesterol metabolism, particularly in certain strains of Mycobacterium bacteria. This research focuses on discovering new inhibitors for HsaA from a pool of 40 compounds using computational techniques like molecular docking and Molecular Dynamics (MD) simulations along with comparing it with GSK2556286.

resultsDocking studies revealed that AK05 and AK13 showed good binding affinity as compared to GSK2556286. The docking scores of AK05, AK13, and GSK2556286 are -9.4, -9.0, and -8.9 kcal/mol, respectively. ADMET studies showed that these thiadiazole derivatives can be investigated as lead molecules for the development of novel antituberculosis drugs. MD simulation studies showed that both of the compounds AK05 and AK13 were stable at the binding site with RMSD below 0.25 nm.

conclusionAll these findings demonstrated that AK05 and AK13 could be used as potent compounds for the development of HsaA monooxygenase inhibitors.

Indexed as

Antitubercular AgentsEnzyme InhibitorsMixed Function OxygenasesMolecular Docking SimulationMolecular Dynamics SimulationThiadiazolesHumansMycobacterium tuberculosisAntitubercular AgentsEnzyme InhibitorsMixed Function OxygenasesThiadiazolesanti-tuberculosis agentsbinding affinityGSK2556286HsaA monooxygenaseMD simulationmolecular docking

Identifiers

PMID40183272

What OpenQuestion holds

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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.