IN-SILICO DESIGN OF ELECTROPORATION EXPERIMENTS FOR TOPICAL AND TRANSDERMAL DRUG DELIVERY APPLICATIONS

    公开(公告)号:US20210283394A1

    公开(公告)日:2021-09-16

    申请号:US17136351

    申请日:2020-12-29

    摘要: Conventional systems and methods limit their approaches for simpler stratum corneum (SC) model and approximated parameters and thus lacked in understanding of electroporation. Further, these approaches limit their capabilities to a specific phenomenon either molecular of macroscopic level permeation, and flux and cumulative release profiles could not be obtained using molecular models due to their limitations with respect to time and length scales. Conventional simulation studies also lack in designing electroporation experimental protocols which require selection of multiple pulse parameters. Embodiments of the present disclosure provide systems and methods for in-silico design of skin electroporation parameters; wherein skin lipids membrane are simulated for calculation of physical properties such as diffusion coefficient. Further, macroscopic diffusion is simulated during electroporation and flux and cumulative release profiles of actives are computed. The system of the present disclosure may be utilized as a design tool for selecting suitable electroporation protocol from factorial simulations.

    System and method for evaluation of at least one potential tastant from a plurality of tastants

    公开(公告)号:US11783920B2

    公开(公告)日:2023-10-10

    申请号:US16783824

    申请日:2020-02-06

    摘要: A processor implemented method of evaluating at least one potential tastant from a plurality of tastants is provided. The processor implemented method includes at least one of: receiving, information associated with a plurality of molecular activities; generating, a plurality of data-based models based on the known taste index associated with at least one tastant and information from associated molecular structure/descriptors; classifying, a new molecule based on the generated data-based models for the at least one tastant; screening, the one or more classified new molecules in an applicability domain of the generated data-based models based on the physics-based models by at least one molecular modeling technique; and evaluating, the at least one potential tastant from the screened molecules based on at least one of a bioavailability and a toxicity. In an embodiment, the plurality of molecular activities corresponds to a taste index and a binding energy.