ArticleMolecules (Basel, Switzerland)2021
Computational Identification of Dithymoquinone as a Potential Inhibitor of Myostatin and Regulator of Muscle Mass.
Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 27 citations in OpenAlex.
- A tri-target in silico analysis of Testolift: a nutraceutical formulation targeting aromatase, myostatin, and prolyl hydroxylase-2 in testosterone regulation and muscle performance.Scientific reports · 2026Article
- Integrated virtual screening, ADMET profiling, and molecular dynamics simulations of novel natural HDAC6 inhibitors with the potential to ameliorate skeletal muscle degeneration.Scientific reports · 2026Article
- Skeletal Muscle Aging: Enhancing Skeletal Muscle Integrity and Function as a Potential Pharmacological Approach.Pharmaceuticals (Basel, Switzerland) · 2025Review
- Explainable Artificial Intelligence: A Perspective on Drug Discovery.Pharmaceutics · 2025Review
- The Effects of Laxogenin and 5-Alpha-hydroxy-laxogenin on Myotube Formation and Maturation During Cultured Meat Production.International journal of molecular sciences · 2025Article
- Exploration of Pathogenesis and Cutting-Edge Treatment Strategies of Sarcopenia: A Narrative Review.Clinical interventions in aging · 2025Review
- Biological insights and therapeutic potential of Glycyrrhiza uralensis and its bioactive compounds: an updated review.Archives of pharmacal research · 2024Review
- Effect ofHeliyon · 2024Article
- Current situation and publication trends of skeletal muscle related research: A bibliometric analysis.Heliyon · 2024Article
- Therapeutic potential and action mechanisms of licochalcone B: a mini review.Frontiers in molecular biosciences · 2024Review
- Therapeutic applications of ginseng for skeletal muscle-related disorder management.Journal of ginseng research · 2024Review
- Targeting myostatin using quercetin as a media supplement to improve myogenesis for cultured meat production: AnCurrent research in food science · 2024Article
- Therapeutic Applications of Ginseng Natural Compounds for Health Management.International journal of molecular sciences · 2023Review
- Age Is Just a Number: Progress and Obstacles in the Discovery of New Candidate Drugs for Sarcopenia.Cells · 2023Review
- Fiber-Type Shifting in Sarcopenia of Old Age: Proteomic Profiling of the Contractile Apparatus of Skeletal Muscles.International journal of molecular sciences · 2023Review
- The roles of growth factors and hormones in the regulation of muscle satellite cells for cultured meat production.Journal of animal science and technology · 2023Review
- Review
Corrections and comments
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
Abstract
The skeletal muscle (SM) is the largest organ in the body and has tremendous regenerative power due to its myogenic stem cell population. Myostatin (MSTN), a protein produced by SM, is released into the bloodstream and is responsible for age-related reduced muscle fiber development. The objective of this study was to identify the natural compounds that inhibit MSTN with therapeutic potential for the management of age-related disorders, specifically muscle atrophy and sarcopenia. Sequential screening of 2000 natural compounds was performed, and dithymoquinone (DTQ) was found to inhibit MSTN with a binding free energy of -7.40 kcal/mol. Furthermore, the docking results showed that DTQ reduced the binding interaction between MSTN and its receptor, activin receptor type-2B (ActR2B). The global energy of MSTN-ActR2B was found to be reduced from -47.75 to -40.45 by DTQ. The stability of the DTQ-MSTN complex was subjected to a molecular dynamics analysis for up to 100 ns to check the stability of the complex using RMSD, RMSF, Rg, SASA, and H-bond number. The complex was found to be stable after 10 ns to the end of the simulation. These results suggest that DTQ blocks MSTN signaling through ActR2B and that it has potential use as a muscle growth-promoting agent during the aging process.
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Registered trials
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.