March 2026 in “Preprints.org” This review suggests that the compound DRDE-07, originally a sulphur-mustard countermeasure candidate, could potentially be repurposed for skin protection due to its compatibility with pathways involved in oxidative stress and inflammation, though further experimental study is needed to confirm its therapeutic applicability in dermatology.
March 2024 in “Journal of Pharmaceutical and Sciences” This study investigated the phytochemical composition and antibacterial and antioxidant activities of Zaleya pentandra extracts, finding high total polyphenol and flavonoid content and significant antibacterial effects, particularly in acetone extract, which may be suitable for developing antibacterial agents.
4 citations
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September 2024 in “Jurnal Pengolahan Hasil Perikanan Indonesia” In this study, researchers reported that compounds from Bruguiera gymnorhiza leaves showed anti-inflammatory potential in in silico analyses, with favorable drug properties and specific binding to the IKKβ receptor, suggesting possible development into anti-inflammatory drugs.
July 2024 in “Recent Advances in Inflammation & Allergy Drug Discovery” This study conducted an in silico evaluation and found that berberine displayed better binding interactions with the 5α-reductase enzyme and TGF-β2 compared to minoxidil, suggesting its potential as a therapeutic agent for androgenetic alopecia.
August 2026 in “Genetics and Molecular Research” This study found that hydroalcoholic extracts of Trigonella foenum-graecum L. seeds were rich in bioactive phytochemicals and demonstrated potential therapeutic properties against dandruff, alopecia, and oxidative stress through molecular docking analysis of key constituents such as diosgenin, kaempferol, and quercetin.
11 citations
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August 2022 in “Evidence-based Complementary and Alternative Medicine” This study found that methanolic extract of Eclipta alba leaves exhibited strong antibacterial effects against certain pathogens including methicillin-resistant Staphylococcus aureus, but it showed no activity against Mycobacterium tuberculosis, including drug-resistant strains.
180 citations
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February 2023 in “Journal of Chemical Information and Modeling” In this paper, Chemistry42—a software integrating AI with computational and medicinal chemistry—demonstrated efficiency in designing novel molecular structures targeting DDR1 and CDK20, with properties validated in both in vitro and in vivo studies.
14 citations
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July 2021 in “Biomolecules” This study found that Centipeda minima extract promotes hair growth by activating Wnt/β-catenin, ERK, and JNK signaling pathways in human hair follicle dermal papilla cells.
May 2025 in “Clinical Proteomics” In this study, researchers identified three proteins, DEFB1, HGFAC, and CYB5D2, as potential drug targets for alopecia areata, and suggested that the traditional Chinese medicine ingredient cimigenol shows promise in interacting with DEFB1 for potential treatment.
2 citations
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November 2025 in “Briefings in Bioinformatics” In this study, the researchers performed a comparative analysis of drug-target interaction data from multiple databases to refine drug repurposing strategies, revealing potential associations between drug characteristics and therapeutic groups, and predicting repositioning opportunities for FDA-approved drugs across major cancer types.
29 citations
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June 2017 in “Journal of Inherited Metabolic Disease” This review discusses the potential of using high-throughput and high-content screening methods for drug repositioning in rare diseases and reports no new results.
July 2026 in “Journal of Enzyme Inhibition and Medicinal Chemistry” This review discusses the evolution of Cereblon ligands in PROTAC technology, highlighting chemical innovations that may enhance drug-likeness and applicability in protein degradation, while noting challenges and future research directions.
1 citations
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July 2022 in “Clinical, Cosmetic and Investigational Dermatology” This study suggests that the anti-inflammation and anti-oxidation properties of Taohong Siwu decoction may be linked to its effects on androgenic alopecia through specific biological processes and pathways.
August 2025 in “Frontiers in Pharmacology” This study identified three Ayurvedic compounds that may serve as potential treatments against the macrolide-resistant enzyme murE of *Tropheryma whipplei*, addressing challenges in treating Whipple disease.
January 2024 in “Journal of Applied Pharmaceutical Science” This study identified procyanidin B2 and leucopelargonidin from Saraca asoca as potential inhibitors in PCOS by showing high binding energy scores against key enzymes involved in estrogen and testosterone biosynthesis.
January 2024 in “Biochemistry Research International” This study found that compounds from Ziziphus spina-christi roots exhibited promising antibacterial and antioxidant activities, supporting its traditional medicinal use.
24 citations
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December 2009 in “Future Medicinal Chemistry” This study identified new potential targets and indications for several marketed drugs using in silico profiling, suggesting opportunities for drug repositioning.
1 citations
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August 2025 In this study, researchers evaluated drug-target interaction data from three major resources and developed a framework for drug repurposing, revealing associations between drug properties and therapeutic groups to aid in compound prioritization and predicting repositioning opportunities for existing drugs, particularly in cancer treatment.
December 2022 in “International Journal of Molecular Sciences” This study used machine learning to identify FDA-approved drugs afatinib, neratinib, and zanubrutinib as potential KRASG12C inhibitors for resistant non-small-cell lung cancer, highlighting the potential of AI in drug repurposing.
1 citations
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November 2023 in “BMC chemistry” In this study, researchers used computational modeling and virtual screening to identify two FDA-approved drugs, Tadalafil and Finasteride, that may effectively inhibit key proteins involved in melanoma progression, suggesting potential for new therapeutic strategies against aggressive melanoma.
May 2025 in “Frontiers in Bioinformatics” This study used computational methods to identify six molecules, with jamogenin being particularly promising, that effectively bind to and inhibit the enzyme linked to male pattern hair loss, suggesting these compounds could be explored further for hair growth potential.
April 2024 in “Journal of pharmacy & pharmacognosy research” This study used in silico analysis to identify 4-[2-(4-nitrophenyl)ethylcarbamoyl]benzenesulfonyl as a potential inhibitor of the EGFR mutant associated with NSCLC, highlighting the need for further in vitro and in vivo validation.
This study identified seven novel CYP17A1 inhibitor scaffolds as potential leads for treating polycystic ovary syndrome through an in silico approach, demonstrating favorable interactions, drug-like properties, and predicted bioactivities warranting further experimental validation.
December 2022 in “Frontiers in Pharmacology” This study reported that Tianma Gouteng decoction improved hair follicle regeneration in mice and identified its potential mechanism, primarily involving the Wnt/β-catenin signaling pathway, through a combination of network pharmacology, molecular docking, and experimental validation.
10 citations
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July 2022 in “Journal of Medicinal Chemistry” This article discusses the potential for combining PROTACs with other therapeutic modalities in drug discovery and reports no clinical results.
16 citations
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December 2012 in “Bioinformation” This study suggests that natural molecules like curcumin, EGCG, barringtozenol, and finasteride may be effective inhibitors for VEGFR, potentially offering a cancer chemoprevention alternative to pazopanib.
July 2026 in “npj Regenerative Medicine” This study identified a crucial Gli2-Serpinh1 regulatory axis that regulates fibroblast state transitions during skin wound healing, shedding light on fibroblast heterogeneity and suggesting potential precision regenerative therapies.
March 2026 in “Journal of Hunan University Natural Sciences” This study evaluated the antimicrobial activity of Albizia saponaria stem bark against microorganisms causing dandruff and fungal alopecia. It found that the hexane fraction exhibited potent antifungal effects comparable to ketoconazole, highlighting its potential as a natural therapeutic for dandruff.
December 2023 in “Biointerface Research in Applied Chemistry” This study used molecular docking to identify stiripentol as a potential new inhibitor of the SRD5A2 enzyme, which is targeted for treating androgen-related diseases; however, in vivo trials are needed to validate its efficacy.
July 2021 in “Research Square (Research Square)” In this study, the ethyl acetate extract of Semecarpus anacardium Linn leaves was reported to induce cytotoxicity in cancer cells, cause cell cycle arrest, and suppress tumor growth in mice.