Computer-Aided Drug Design for the Screening of Cosmetics

A special issue of Cosmetics (ISSN 2079-9284).

Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 359

Special Issue Editor


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Guest Editor
Department of Biochemistry, Kasetsart University, Bangkok 10900, Thailand
Interests: protein biochemistry; drug discovery; molecular docking; molecular dynamics simulation; computer-aided drug design; protein engineering; molecular biology

Special Issue Information

Dear Colleagues,

Computer-aided drug design (CADD) is a powerful approach that uses computational tools and techniques to discover, design, and optimize new drugs. Traditionally, CADD has been employed extensively in the pharmaceutical industry to expedite the drug discovery process, saving time and resources by predicting the interactions between potential drug candidates and biological targets. In recent years, the application of CADD has expanded beyond the realm of traditional pharmaceuticals to various other fields, including the screening of cosmetics.

 The primary goal of using computer-aided drug design for the screening of cosmetics is to ensure the safety and efficacy of these products before they reach the market and are used by consumers. Cosmetics, such as skincare products, makeup, and personal care items, come into direct contact with the skin and can be absorbed to some extent. Therefore, it is crucial to assess their potential interactions with biological targets, including skin receptors and enzymes, to avoid any adverse effects on users.

By leveraging CADD, researchers and cosmetic companies aim to identify and design cosmetic ingredients with specific properties that are beneficial for the skin and health. This process involves understanding the molecular interactions of cosmetic components with their targets, predicting potential toxicity or irritation, and optimizing the formulations to enhance their performance and safety.

In conclusion, the application of computer-aided drug design for the screening of cosmetics marks a significant step forward in ensuring safer, more effective, and innovative cosmetic products. By leveraging computational methods to predict molecular interactions, toxicity, and efficacy, cosmetic companies can enhance their research and development processes while prioritizing consumer safety and satisfaction.

Dr. Kiattawee Choowongkomon
Guest Editor

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Keywords

  • computer-aided drug design (CADD)
  • cosmetics
  • drug discovery
  • molecular interactions 
  • biological targets 
  • safety assessment
  • efficacy prediction
  • toxicity screening
  • formulation optimization
  • in silico testing
  • skin receptors
  • skin irritation
  • skin absorption
  • personal care products
  • cosmetic ingredients
  • computational modeling
  • in vitro validation
  • regulatory compliance
  • ethical testing
  • innovation in cosmetics

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