Evren ALĞIN YAPAR, Süreyya Ölgen

385

Kozmetikler ve in silico yaklaşımlar

Gelişen teknolojilerle birlikte moleküler modelleme teknikleri kullanılarak kozmetik preparatlarda yer alan aktif maddelerin akılcı yöntemlerle keşfi mümkün olmaktadır. Kemoinformatik yöntemlerin kullanılması kozmetik aktif moleküller ya da gruplar hakkında bilgi edinilmesini sağlamaktadır. Bu yöntemlerle formülasyon tasarımında rol oynayan tüm fizikokimyasal özellikler daha iyi irdelenmekte ve karşılaştırmalı toksisite gibi çalışmalarla da daha kısa sürede sonuca ulaşılabilmektedir. Bu doğrultuda hayvan modellerine gereksinim duyulmadan kozmetik aktif maddelerin insanlarda etkinliklerini ve toksik etkilerini belirleyerek emniyetli kullanımlarını sağlamak amacıyla bilgisayar programları geliştirilmiştir. Bu derlemede bilimsel makalelerde yer alan bilinen bazı kozmetik amaçlı moleküllerin etkileri, etki mekanizmaları ve akılcı yöntemlerle tasarlanmaları hakkında bilgi verilerek moleküler modellemenin kozmetik inovasyonundaki önemi açıklanmıştır.
Anahtar Kelimeler:

Kozmetikler, aktif madde, risk değerlendirmesi, güvenlik, bilgisayarla tasarım, moleküler modelleme

Cosmetics and in silico approaches

Emerging technologies with molecular modelling techniques give opportunity to discover the active ingredients in cosmetics by using rational methods. Using chemoinformatic methods provides information about the acquisition of cosmetic active molecules or groups. With these methods, the physicochemical properties, which are involved in the formulation design are better evaluated and the results can be obtained in a short time with comparative toxicity studies. Accordingly some computer programs, without any need to animal models have been developed for testing cosmetic active agents to investigate their efficacy and toxic effects in humans and provide their safe use. In this review, some well-known cosmetic active molecules from scientific articles, their effects, molecular mechanisms and rational design methods are given to describe the importance of molecular modelling in cosmetic innovations.
Keywords:

Cosmetics, active substance, risk assessment, safety, computer design, molecular modelling,

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Clinical and Experimental Health Sciences-Cover
  • Yayın Aralığı: Yılda 4 Sayı
  • Başlangıç: 2011
  • Yayıncı: Marmara Üniversitesi
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