Evidence map›Paper›PMID 40657273›Full record

ArticleIn silico pharmacology2025

In silico evaluation and therapeutic targeting of LVDD9B protein for WSSV inhibition: molecular and ecological insights for aquaculture solutions.

Md Iftehimul, Neaz A Hasan, Mst Farzana Akter, Md Arju Hossain, Sajia Afrin Tima, Amirul Kabir, Prottay Choudhury, Apurbo Bhowmick, Sakib Anzum Pranto, Ali Mohamod Wasaf Hasan and 2 more

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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 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

12 authors.

Md IftehimulDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, 2202 Bangladesh.
Neaz A HasanDepartment of Fisheries and Marine Bioscience, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh.
Mst Farzana AkterDepartment of Fisheries and Marine Bioscience, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh.
Md Arju HossainDepartment of Biochemistry and Biotechnology, Khwaja Yunus Ali University, Sirajganj, 6751 Bangladesh.
Sajia Afrin TimaDepartment of Food Technology & Nutritional Science, Mawlana Bhashani Science and Technology University, Tangail, 1902 Bangladesh.
Amirul KabirDepartment of life sciences, Independent University, Dhaka, 1212 Bangladesh.
Prottay ChoudhuryDepartment of Biotechnology and Genetic Engineering, Mawlana Bhashani Science and Technology University, Tangail, 1902 Bangladesh.
Apurbo BhowmickDepartment of Fisheries and Marine Bioscience, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh.
Sakib Anzum PrantoDepartment of Microbiology and Hygiene, Bangladesh Agricultural University, Mymensingh, 2202 Bangladesh.
Ali Mohamod Wasaf HasanDepartment of Pharmaceutical Science and Business, York College, The City University of New York, New York, 11451 USA.
Siddique Akber AnsariDepartment of Pharmaceutical Chemistry, King Saud University, 11451 Riyadh, Saudi Arabia.
Md Habibur RahmanCenter for Advanced Bioinformatics and Artificial Intelligence Research, Department of Computer Science and Engineering, Islamic University, Kushtia, 7003 Bangladesh.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study aimed to investigate structural dynamics, binding interactions, stability, pharmacokinetics, ecological risks, and bioactivity of shrimp receptor protein LVDD9B to identify potential therapeutic candidates against White Spot Syndrome Virus (WSSV). LVDD9B protein's 3D structure was predicted using SWISS-MODEL and validated with ProSA and Ramachandran plots. Protein-protein docking between LVDD9B and VP26 (WSSV protein) was performed using HADDOCK 2.4 server. Molecular docking, dynamics simulations, binding-free energy calculations, principal component analysis (PCA), electrostatic, and vibrational frequency analyses evaluated binding affinity, stability and polarity of complexes. The 128-amino-acid LVDD9B protein was predominantly localized in the cytoplasm and extracellular with stable, and hydrophilic, with structural analysis identified key secondary structures and conserved chitin-binding sites. Docking studies revealed strong interactions between LVDD9B and VP26, supported by hydrogen-bonds and salt bridges. Molecular dynamics simulations demonstrated stable complexes with minimum fluctuating RMSF values, and MM/GBSA calculations indicated favourable binding free energies. Pharmacokinetic analysis highlighted promising bioavailability and drug-like properties for Luteolin and Quercetin from Supplementary Information: The online version contains supplementary material available at 10.1007/s40203-025-00390-w.

Indexed as

Density functional theory (DFT)LVDD9BMolecular dynamics simulation (MDS)ShrimpVP26WSSV

Identifiers

PMID40657273
PMCPMC12240885

What Socratic holds

Textmetadata
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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.