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In this in silico study, researchers analyzed nonsynonymous SNPs in the LIPH gene linked to hypotrichosis and identified three potentially harmful variants (W108R, C246S, and H248N) out of 215 total, using sequence- and architecture-based bioinformatics techniques to differentiate between harmful and benign SNPs.

This study used molecular dynamics simulations to illustrate the complex molecular behavior of the hair surface F-layer, highlighting how fatty acids interact with 18-MEA under different conditions.

In this study, using tyrosine as a cross-linking agent for hair perming showed better initial results compared to commercial products, though efficiency decreased after washing without compromising hair strength.

This study suggests that three mushroom-derived bioactive compounds, Zhankuic acid A, Sterenin M, and Melleolide K, may effectively inhibit SRD5A2 and stabilize its interaction, indicating potential for treating androgenic alopecia.

This study identified key genes linked to immune cells and potential therapeutic compounds for alopecia areata by evaluating upregulated genes from patient datasets, highlighting T and NK cell involvement in hair follicle attack and suggesting drug candidates through molecular docking and dynamics simulations.

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.

This study identified seven new compounds from the plant Sansevieria trifasciata Prain and predicted that four of them may have better anti-alopecia activity than minoxidil through an in silico approach.

This review discusses molecular dynamics studies of hair keratin, highlighting newly developed computational models that replicate experimental phenomena and offering insights into molecular mechanisms.

In this study, Ipomoea batatas leaf extracts exhibited significant hair growth stimulation and strong antifungal activity against Malassezia furfur, potentially offering a promising treatment for alopecia with further research needed on their androgen receptor inhibition potential.

In this study, computational analysis identified EGCG as the most effective GSK3β inhibitor among tested compounds, suggesting its potential for promoting hair regrowth by interacting with signaling pathways related to hair follicle cycling, although further experimental testing is needed.

This study's molecular dynamics simulations suggest that electrostatic interactions mainly stabilize peptide binding to human hair keratin, with the protein's dielectric constant significantly affecting free energy calculations.

This review discusses factors influencing angiogenesis, focusing on vascular permeability factor as a key inducer and thrombospondin as a notable inhibitor, and recommends exploring molecular mechanisms for therapeutic interventions.

This study demonstrated that molecular dynamics simulations of keratin could effectively model the mechanical properties of hair, aligning well with experimental data, especially when conducted in vacuum conditions.

This study used molecular dynamics simulations to model the outer surface of human hair, illustrating complex behavior and potential adsorption interactions with fatty acids, which may inform cosmetic formulation development.

In this study, researchers using QM/MM simulations identified key molecular motions and residue interactions in the enzyme SRD5A2 that significantly influence its catalytic efficiency, demonstrating that specific residues play critical roles in stabilizing transition states and reducing activation barriers.

This study reports that carbamazepine can self-assemble into stable channel structures without guest polymers, while griseofulvin relies on guest molecules for structural stability in drug-polymer inclusion complexes.

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.

This study found that the cytochrome P450 enzyme CYP-sb21 can hydroxylate cyclosporine A at multiple positions, reducing its immunosuppressive effects but retaining its hair growth-promoting side-effect, and suggests modifications to improve regioselectivity for commercial use.

This study's simulations revealed the complex "onion-like" organization of a lipid nanoemulsion droplet containing vitamins A and E for skin delivery, showing distinct concentration patterns of these vitamins within different layers of the nanodroplet.

This study explores potential treatments for post COVID-19 complications using natural substances through molecular docking, but reports no new clinical results and existing treatments remain limited to prophylaxis and therapeutics.

This study found that components derived from Sansevieria trifasciata demonstrated notable antibacterial activity against Escherichia coli and Streptococcus aureus, highlighting potential for developing new antibacterial agents.

This study found that specific mutations in the spike protein of SARS-CoV-2 may significantly alter its structure and affect how it binds to certain inhibitors, but experimental studies are needed to confirm potential clinical implications.

This study demonstrated that a computational screening process can identify existing drugs and natural compounds with potential anti-COVID-19 activity, highlighting some candidates for further experimental validation.

This study presents the first detailed 3D models of the complete K1/K10 keratin dimer and identifies structural features and interactions that may inform understanding of keratin filament assembly.

This study suggests that cepharanthine may play an important role in treating SARS-CoV-2 infection by targeting multiple pathways and related targets associated with COVID-19.

In this study, researchers validated a computational workflow for repurposing non-antibacterial drugs as antibacterial agents and highlighted daprodustat, combined with an efflux pump inhibitor, as a promising strategy against bacterial pathogens.

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.

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.

This discussion reviews the shift in pharmaceutical strategy towards evidence-based and structure-guided drug development, highlighting ongoing challenges and efforts in computer-aided drug design without presenting new clinical results.

This study investigated the ability of a human hair keratin dimer to absorb the pollutants diclofenac and perfluorobutane sulfonate, finding high binding affinities that suggest potential for hair-derived materials in water filtration technologies.