Fatemeh Fadaei Nobandegani
Shiraz University of Technology
[ 1 ] - VLE Properties from ISM Equation of State: Application to Pure and Mixture
In this paper, the vapor-liquid equilibrium (VLE) properties of polar and nonpolar fluids are modeled by the use of a statistically-based equation of state (EOS). The equation of state used in this work is that of Ihm-Song-Mason (ISM) EOS. An alternative approach is to revise the isothermal integration on liquid. In this respect, a temperature-dependent revision factor b (T) is introduced to the …
[ 2 ] - مطالعه داکینگ مولکولی و ارزیابی خطر سمیت تعدادی از مشتقات جدید اکسیم اترهای بنزایمیدازول به عنوان مهارکننده های آنزیم سیتوکروم 51
Introduction: The azole class of compounds is the most popular among the antifungal classes because of its lower toxicity, higher efficacy, and a broad spectrum of activity. Ergosterol is the main component of the fungal cell membrane. Inhibition of the 14α-demethylase enzyme will result in decreased ergosterol synthesis. Ergosterol plays a hormone-like role in fungal cells, which stimulates grow…
[ 3 ] - Design, Molecular Docking Studies and Toxicity Prediction of Some Novel 1, 2, 3-Triazole Derivatives Containing Piperazine Moiety as Antifungal Agents and CYP-51 Inhibitors
Background & Objective: In this study, a number of new triazole derivatives, containing a 1, 2, 3-triazole ring attached to the piperazine moiety as antifungal agents and lanosterol 14 alpha-demethylase, (CYP51) inhibitors were docking studies conducted. In the following, the toxicity risks of the designed compounds, were predicted by existing software. Materials & methods: Initially, the chemica…
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