January 2026 in “Ife Journal of Science” In this computational study, the researchers observed that compounds in rosemary extract showed promising interactions with proteins involved in androgenic alopecia, suggesting potential for hair growth promotion and hair loss prevention, warranting further in vitro and in vivo validation.
3 citations
,
January 2022 in “Precision medicine and clinical omics” This study reports that using molecular docking methods, beta-sitosterol and stigmasterol from Serenoa repens were identified as potential natural inhibitors of the 5AR1 enzyme, which could serve as novel treatments for androgenetic alopecia based on their inhibitory action observed in a laboratory setting.
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.
May 2024 in “Scientific African” This research used computational methods to identify potential new treatments for benign prostatic hyperplasia, finding three compounds from Ghanaian plants with promising binding energy against 5alpha reductase 2 compared to existing drugs, yet further in vitro validation is necessary to confirm their efficacy.
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.
3 citations
,
December 2021 in “Frontiers in Pharmacology” This study found that Ficus benghalensis leaf extracts reduced the activity of 5 α-reductase II and promoted hair growth in rabbits by elongating the hair follicle's anagen phase, suggesting potential for treating hair loss.
April 2025 in “Journal of Ethnopharmacology” This study elucidated the multi-component and multi-target mechanisms by which TR and Am may provide therapeutic benefits for treating androgenetic alopecia.
July 2024 in “Fitoterapia” This study found that Camellia oleifera seed shell polyphenols and 1,3,6-tri-O-galloylglucose improved androgenetic alopecia symptoms in mice by reducing DHT levels and activating specific hair growth pathways.
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.
August 2024 in “Journal of Drug Delivery Science and Technology” In this study, the researchers reported that minoxidil-loaded transfersomes using a cyclodextrin strategy significantly increased drug stability, skin permeation, and hair regrowth in a mouse model of androgenetic alopecia compared to traditional formulations and commercial tinctures.
1 citations
,
January 2024 in “Animal Research and One Health” This commentary highlights the potential of using transgenic and genome-edited mouse models to validate findings from livestock genomic and multi-omic analyses, aiding in the understanding of economically significant animal traits.
June 2026 in “Open Access Research Journal of Biology and Pharmacy” This study used molecular docking simulations to identify approved drugs, including Bedaquiline and Telmisartan, with potential to treat Onchocerca volvulus infections by inhibiting key protein targets, suggesting these drugs could be repurposed for onchocerciasis treatment with further validation.
January 2026 in “GSC Biological and Pharmaceutical Sciences” This study used molecular docking simulations to identify Adapalene, Diosmin, and Azelastine as promising drugs for repurposing against onchocerciasis by targeting proteins in the parasite and its endosymbiont; further research is needed to confirm their efficacy.
1 citations
,
February 2025 in “South Asian Research Journal of Pharmaceutical Sciences” This study used in-silico molecular docking to evaluate the antidiabetic potential of Eclipta alba leaf flavonoids, finding that compounds like apigenin, syringic acid, and vanillic acid effectively bind to the target protein aldose reductase, suggesting a promising inhibitory action.
57 citations
,
May 2014 in “Molecular Phylogenetics and Evolution” This study utilized a sequence-structure alignment approach to improve the characterization of Class A Rhodopsin GPCR superfamily, including orphan and unclassified receptors, through evolutionary analysis.
4 citations
,
January 2021 in “Journal of Clinical Medical Research” This review provides an in-depth analysis of the structure and function of c-kit activation, and its role in both normal physiological and pathological conditions, with no new research findings reported.
July 2020 in “bioRxiv (Cold Spring Harbor Laboratory)” This study reports that structural and biochemical analysis of steroid 5α-reductases clarifies how they mediate steroid reduction with NADPH, potentially aiding in designing targeted therapies.
December 2023 in “Research Square (Research Square)” In this study, researchers using molecular docking techniques found that 12-Methoxy carnosic acid from rosemary shows promising potential as a natural inhibitor of the 5 alpha reductase enzyme, which is involved in hair loss, suggesting its efficacy compared to finasteride.
April 2025 in “Scientific Reports” This study explores how Astragaloside A from traditional Chinese medicine may combat lung adenocarcinoma by regulating key signaling molecules like STAT3 and AKT, using techniques such as network pharmacology and molecular docking to understand its mechanisms in cellular models.
106 citations
,
April 2010 in “ACS Nano” This study found that about 80% of known fullerene-binding proteins rank in the top 10% of scorers for C60 docking sites, confirming the accuracy of the predictive model used.
10 citations
,
January 2023 in “Molecular and Cellular Biochemistry” This review discusses the potential therapeutic role of the edible plant Solanum nigrum for managing COVID-19 symptoms and post-COVID complications based on in silico docking and pharmacological studies, but reports no new clinical results.
February 2025 in “Global Academic Journal of Pharmacy and Drug Research” This study reported that compounds from the root of Beta vulgaris, specifically 4-picoline and Betalain, showed potential as effective anti-hair loss treatments by demonstrating significant inhibitory activity against the enzyme 5α-reductase in a computational molecular docking study.
2 citations
,
January 2022 in “Rasayan journal of Chemistry” This study analyzed the affinity, stability, and pharmacokinetics of compounds from Sansevieria trifasciata, reporting that three compounds showed promising molecular docking results against the androgen receptor and satisfactory pharmacokinetic profiles, similar to minoxidil, in an in-silico setting.
29 citations
,
November 2021 in “FEBS Open Bio” In this study, molecular docking simulations and cell-based assays suggested that certain analogues of cepharanthine might possess anti-SARS-CoV-2 activity.
June 2026 in “Zenodo (CERN European Organization for Nuclear Research)” This study used molecular docking to analyze the binding affinities of quercetin and kaempferol, plant-derived flavonoids, showing they have promising interaction profiles with JAK3 kinase and moderate binding with 5-alpha reductase type 2, suggesting potential as topical treatments for androgenetic alopecia.
April 2024 in “Frontiers in endocrinology (Lausanne)” In this meta-analysis, researchers found that melatonin did not affect primary hair follicles or litter size in goats but was positively correlated with secondary follicle growth, suggesting potential relevance for studying hair growth mechanisms and human alopecia.
11 citations
,
April 2023 in “Frontiers in Pharmacology” This study reported that the Computational Analysis of Novel Drug Opportunities platform effectively uses integrated biological data, including side effects and pathways, to generate potential drug candidates for colon cancer and migraine disorders.
November 2025 in “Agriculture” This study applied a machine learning-based genomic analysis to identify genetic markers associated with wool traits in Central Anatolian Merino sheep, successfully highlighting loci relevant to fiber diameter, staple length, and greasy fleece yield, which could inform breeding programs to enhance wool quality and yield.
3 citations
,
June 2024 in “Pharmacia” In this study, isatin-gallate hybrids were synthesized and assessed, with compound 3b showing significant in vitro antioxidant and cytotoxic activities, and the series displaying moderate efficacy in inhibiting coronavirus activity through in silico analysis.
In this study, cepharanthine and tetrandrine demonstrated efficacy against SARS-CoV-2 in a cell-based infection assay, with cepharanthine showing a lower IC50 value.