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research In-Silico Modelling of Transdermal Delivery of Macromolecule Drugs Assisted by a Skin Stretching Hypobaric Device

1 citations , November 2022 in “Pharmaceutical research”

The simulation showed that hypobaric pressure improves drug delivery through the skin, but stretching alone doesn't fully explain the increase.

research Evaluation of Personalized Skincare Through in-silico Gene Interactive Networks and Cellular Responses to UVR and Oxidative Stress

11 citations , October 2022 in “Clinical Cosmetic and Investigational Dermatology”

The study evaluated personalized skincare by analyzing single nucleotide polymorphisms (SNPs) in genes associated with skin types of European, Asian, and African origins. Using in-silico modeling and cultured dermal fibroblasts, researchers assessed cellular responses to ultraviolet radiation and oxidative stress. They found that SNPs in pigmentation-related genes influenced skin responses to photodamage, such as oxidative stress and inflammation. The study demonstrated that bioactive compounds like Resveratrol and Quercetin could modulate these responses. The findings suggested that understanding SNP-affected gene networks could aid in creating personalized skincare products tailored to different ethnic backgrounds.

research In silico structural prediction of human steroid 5α-reductase type II

3 citations , March 2016 in “Medicinal Chemistry Research”

Scientists found out the structure of a human enzyme linked to prostate cancer and hair loss, which could help in designing drugs.

In-Silico Study of Bioactive Compounds of Natural Materials as a JAK-Signal Transducer and Activator of Transcription Inhibitor for Anti-Alopecia

research IN-SILICO STUDY OF BIOACTIVE COMPOUNDS OF NATURAL MATERIALS AS A JAK- SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION INHIBITOR FOR ANTI-ALOPECIA

November 2017 in “Asian journal of pharmaceutical and clinical research”

Three compounds from Dadap leaves may help treat hair loss.

research Identification of Beta-Sitosterol and Stigmasterol as Possible Inhibitors of 5 Alpha-Reductase 1: An In-Silico Study

3 citations , January 2022 in “Precision medicine and clinical omics”

Beta-sitosterol and stigmasterol might help prevent hair loss by blocking a specific enzyme.

research Logic-Based Modeling and Drug Repurposing for the Prediction of Novel Therapeutic Targets and Combination Regimens against E2F1-Driven Melanoma Progression

June 2023

Cialis and Finasteride could be repurposed to treat aggressive melanoma.

research 1430 Modeling the onset of senescence associated secretory phenotype predicts therapeutic targets

April 2018 in “Journal of Investigative Dermatology”

The research found that blocking a gene called NEMO can potentially prevent harmful effects of aging at the cellular level.

research GC-MS Fatty Acid Profile and In silico Studies of Telfairia occidentalis Hook f. (Fluted Pumpkin) and Sphenostylis stenocarpa (African Yam bean) Seeds Oil on Human 5 Alpha Reductase II

February 2026

Compounds in fluted pumpkin and African yam bean seed oils may help manage benign prostate hyperplasia.

research Synthesis of avicequinone c and analogs toward the study of 5α-reductase inhibitory activity

January 2015

2-Hydroxy-1,4-naphthoquinone is a strong 5α-reductase inhibitor.

research In Silico Study on the Contribution of the Follicular Route to Dermal Permeability of Small Molecules

February 2024 in “Pharmaceutical research”

Hair follicles affect how well small molecules can pass through the skin, and this varies depending on the molecule's features.

A Computational Modeling Framework to Quantify the Effects of Passaging Cell Lines

research A computational modelling framework to quantify the effects of passaging cell lines

19 citations , July 2017 in “PLoS ONE”

Cell characteristics change with passage numbers, affecting experiment results.

research In silico prediction of prostaglandin D2 synthase inhibitors from herbal constituents for the treatment of hair loss

30 citations , October 2015 in “Journal of Ethnopharmacology”

Herbal compounds like ricinoleic acid, quercetin-3-O-rutinoside, and hinokiflavone may be safe and effective for treating hair loss.

research Regenerative medicine meets mathematical modelling: developing symbiotic relationships

25 citations , April 2021 in “npj Regenerative Medicine”

Mathematical modeling can improve regenerative medicine by predicting biological processes and optimizing therapy development.

GC-MS Profiling and In Silico Prediction of MAPK Receptor Activation by Fatty Acids of Watercress Oil for Hair Growth Marketed in Saudi Arabia

research GC–MS profiling and in silico prediction of MAPK receptor activation by fatty acids of watercress oil for hair growth marketed in Saudi Arabia

5 citations , January 2021 in “Journal of Saudi Chemical Society”

Watercress oil may promote hair growth by activating specific receptors.

research In silico analysis of ethyl acetate Bruguiera gymnorhiza leaf extracts as an anti-inflammatory agent

4 citations , September 2024 in “Jurnal Pengolahan Hasil Perikanan Indonesia”

Bruguiera gymnorhiza leaf extracts show potential for developing anti-inflammatory drugs.

The Identification of Molecular Mechanisms from Bioactive Compounds in Sansevieria Trifasciata Plant as Anti-Alopecia: In-Silico Approach

research THE IDENTIFICATION OF MOLECULAR MECHANISMS FROM BIOACTIVE COMPOUNDS IN Sansevieria trifasciata PLANT AS ANTI-ALOPECIA: In-Silico APPROACH

2 citations , January 2022 in “Rasayan journal of Chemistry”

Compounds from the Sansevieria trifasciata plant might be effective for treating hair loss.

research In-silico analysis of papain fibrinolytic mechanism from Carica papaya

June 2025 in “Asia-Pacific Journal of Molecular Biology and Biotechnology”

Papain from papaya may help treat cardiovascular diseases by breaking down fibrin.

In-Silico Screening of Potential Anti-Androgenic and Anti-Estrogenic Phytocompounds from Saraca Asoca for Polycystic Ovary Syndrome Treatment

research In-silico screening of potential anti-androgenic and anti-estrogenic phytocompounds from Saraca asoca for polycystic ovary syndrome treatment

January 2024 in “Journal of Applied Pharmaceutical Science”

Procyanidin B2 and leucopelargonidin from Saraca asoca may help treat PCOS by balancing hormones.

research In-silico studies in herbal drugs: A review

April 2018 in “Journal of Ayurvedic and herbal medicine”

Computational methods can speed up and improve the development and safety of herbal drugs.

Thermodynamic Modeling of the Gas-Antisolvent Process for Precipitation of Finasteride

research Thermodynamic Modeling of the Gas-Antisolvent (GAS) Process for Precipitation of Finasteride

1 citations , December 2020 in “Journal of Chemical and Petroleum Engineering”

The Gas-Antisolvent process can be effectively modeled and optimized to create Finasteride, a hair growth drug.

research Pharmacophore Modeling and Three Dimensional Database Searching for Drug Design Using Catalyst: Recent Advances

153 citations , November 2004 in “Current Medicinal Chemistry”

The document concludes that Catalyst software is effective for drug design, identifying potent compounds for various medical conditions.

research Molecular modeling and structural characterization of a high glycine–tyrosine hair keratin associated protein

16 citations , January 2017 in “Physical chemistry chemical physics/PCCP. Physical chemistry chemical physics”

The 3D structure of a key hair protein was modeled, revealing specific helical structures and stabilization features.

Modeling Androgen Synthesis and Action During Human Sexual Differentiation

research Modelling androgen synthesis and action during human sexual differentiation

February 2010 in “ePrints Soton (University of Southampton)”

Male sexual differentiation is regulated independently, while female differentiation occurs in an androgenic environment, affecting conditions like congenital adrenal hyperplasia.

Analysis of Chemical-Quantum Interactions In Silico of Finasteride and Neurotransmitters and Their Role in Psychopathology

research Análisis de las Interacciones Químicas-Cuánticas in Silico de la Finasterida y los Neurotransmisores y su Papel en la Psicopatología

February 2025 in “Ciencia Latina Revista Científica Multidisciplinar”

Finasteride can help with hair loss and prostate issues but may negatively affect mood and the nervous system.

The Possible Implication of the S250C Variant of the Autoimmune Regulator Protein in a Patient with Autoimmunity and Immunodeficiency: In Silico Analysis Suggests a Molecular Pathogenic Mechanism for the Variant

research The possible implication of the S250C variant of the autoimmune regulator protein in a patient with autoimmunity and immunodeficiency: in silico analysis suggests a molecular pathogenic mechanism for the variant

11 citations , July 2014 in “Gene”

The S250C variant in a gene may cause autoimmunity and immunodeficiency by impairing protein function.

Developing New Dual-Action Antiviral/Anti-Inflammatory Small Molecules for COVID-19 Treatment Using In Silico and In Vitro Approaches

research DEVELOPING NEW DUAL-ACTION ANTIVIRAL/ANTI-INFLAMMATORY SMALL MOLECULES FOR COVID-19 TREATMENT USING IN SILICO AND IN-VITRO APPROACHES

November 2024

Hit15 shows promise as a COVID-19 treatment by reducing virus infection and inflammation.

research A computational modelling framework to quantify the effects of passaging cell lines

7 citations , July 2017 in “bioRxiv (Cold Spring Harbor Laboratory)”

Passage numbers affect cell growth and experiment results.

research Homology Modeling of 5-alpha-Reductase 2 Using Available Experimental Data

5 citations , January 2018 in “Interdisciplinary sciences: computational life sciences”

Accurate protein modeling can help develop new treatments for prostate cancer and other diseases.

Development of a Two-Dimensional Model for Predicting Transdermal Permeation with the Follicular Pathway: Demonstration with a Caffeine Study

research Development of a Two-Dimensional Model for Predicting Transdermal Permeation with the Follicular Pathway: Demonstration with a Caffeine Study

35 citations , June 2017 in “Pharmaceutical research”

Researchers developed a model that shows hair follicles increase skin absorption of caffeine by 20%.

Logic-Based Modeling and Drug Repurposing for the Prediction of Novel Therapeutic Targets and Combination Regimens Against E2F1-Driven Melanoma Progression

research Logic-based modeling and drug repurposing for the prediction of novel therapeutic targets and combination regimens against E2F1-driven melanoma progression

1 citations , November 2023 in “BMC chemistry”

Tadalafil and Finasteride may help treat aggressive melanoma.