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Method and system for in-silico testing of actives on human skin

A technology of active substances and human skin, applied in the field of human skin modeling and simulation, can solve the problems of large gaps in skin composition, huge costs, and inability to accurately reflect complex interactions

Active Publication Date: 2018-09-14
TATA CONSULTANCY SERVICES LTD
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

This obviously entails significant expense, resulting in very few successful candidates being ultimately approved by the regulatory agency (FDA)
2-D in vitro cell culture studies do not accurately reflect the complex interactions that occur between multiple cells present in the 3-D in vivo skin environment
Most modeling work to date has only involved pure ceramide bilayers, which differ significantly from the composition of real skin

Method used

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  • Method and system for in-silico testing of actives on human skin
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  • Method and system for in-silico testing of actives on human skin

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Embodiment Construction

[0020] Embodiments herein and their various features and advantageous details will be explained more fully with reference to non-limiting embodiments illustrated in the drawings and described in detail in the following description. The examples used herein are intended only to facilitate an understanding of the manner in which the embodiments herein may be practiced and are also intended to enable those skilled in the art to practice the embodiments herein. Therefore, these examples should not be construed as limiting the scope of the embodiments herein.

[0021] The words "comprises," "has," and "comprising" and other forms are intended to be equivalent and open-ended, since one or more terms following any of these words does not imply an exhaustive list, or limit yourself to the items listed.

[0022] It must also be noted that, as used herein and in the appended claims, the singular forms "a", "an" and "the" include plural referents unless the context clearly dictates othe...

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Abstract

A method and system for in-silico testing of actives on human skin is described. The present invention discloses a microscopic level model and a macroscopic level model of the skins upper protective layer stratum corneum. The invention presents a multi-scale modeling framework for the calculation of diffusion and release profiles of different actives like drugs, particles and cosmetics through a developed skin model using molecular dynamics simulation and a computational fluid dynamics approach. The systems consist of a molecular model of the skin's upper layer stratum comeum and permeate molecules. The system also consists of a macroscopic transport model of stratum comeum. The transport model is used to generate the release profile of the active molecule.

Description

[0001] priority claim [0002] This patent application claims priority to Indian specification (Title: Method and system for in silico (computer simulation) testing of active substances on human skin) No. 201721007631 filed in India on March 3, 2017 right. technical field [0003] Embodiments herein relate generally to the field of human skin modeling and simulation, and more specifically to methods and systems for testing active molecules with developed skin models using molecular dynamics simulations and computational fluid dynamics. Background technique [0004] The skin, the largest organ of our body, protects us from foreign pathogens, provides a barrier against the penetration of many harmful molecules, and maintains tissue hydration levels. The outer layer of the skin, also known as the stratum corneum (SC), is primarily responsible for these barrier properties. [0005] Drug delivery through the skin offers a convenient route of administration due to the high surfa...

Claims

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Application Information

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IPC IPC(8): G06F19/00G16B5/30
CPCG16C10/00G16C20/50G16B5/30G16C20/64G16H50/50G16H50/20G16C20/30G16C20/10G16B5/00G16B35/00G16C20/60
Inventor R·古普塔K·加巨拉B·S·德瓦达斯B·莱
Owner TATA CONSULTANCY SERVICES LTD
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