ADMET Investigations On A Synthetic Derivative Of Genistein, And Molecular Docking Experiments Targeting Estrogen Receptor-α (ER-α) In The Pancreas

The main goal of the current research was to perform ADMET and molecular docking studies for a synthetic genistein derivative that can imitate Estrogen and function as an endocrine disruptor, activating the ER receptor on beta-cells in the pancreas to release insulin. The created molecule was molecularly docked using the online molecular docking research tool Dockthor. NGL viewer, an online program for viewing Dockthor data, displayed the docking experiment results. The 2D legend-protein interactions were estimated with BIOVIA Discovery Studio Visualizer. Estrogen-Receptor Alpha was the targeted target, while Compound-A was employed as the legend. In this study, we created a synthetic derivative of genistein, an analogue of Estrogen in terms of ER-α receptor binding. We used molecular docking to evaluate the affinity of compound-A binding to the ER-α and its 2D interactions and Ramachandran plots. We then ran ADMET experiments on the molecule, which revealed a substantial relationship with the molecule's Estrogen Receptor binding capabilities, as well as scores for absorption, distribution, metabolism, excretion, and toxicity

Microbe-substrate and gas-microbe interaction factors in relation to liquid manure anaerobic digestion and crop productivity

Chemical fertilizer’s increasing cost is becoming a major bottleneck for small and large farmland cultivation, of which liquid manure (LM) offers a comparative advantage. LM is the end-product of anaerobic digestion (AD) of several organic matter and/or their compost mixed manually or mechanically in dugged trenches or bioreactor using water. Overall, the microorganisms present helps significantly in breaking down soil organic matter to useful nutrient for the plant’s survival and growth, as moisture is essential for bacterial proliferation. In this work, interaction between the substrate and microbe (N) and microbe and gas being produced (K) in mesophilic AD system is examined using an existing model. Results shows that, N and K ranges from 0.00046-0.0016 and 0.1643-0.1987 respectively between 25-45℃ for LM digested for 120 days. Statistical parameters, R2 and adjusted R2 shows that, empirical biogas yield at different choice of mesophilic temperature adequately fits the correlated values for estimates of the interaction factors obtained. This study by implication, sought to improve on LM studies and exploration for both agricultural use and biogas production as a potential replacement of the costly chemical fertilizer.El costo cada vez mayor de los fertilizantes químicos se está convirtiendo en un cuello de botella importante para el cultivo de tierras agrícolas pequeñas y grandes, de las cuales el estiércol líquido (LM) ofrece una ventaja comparativa. LM es el producto final de la digestión anaeróbica (AD) de varias materias orgánicas y/o su compost mezclado manual o mecánicamente en zanjas excavadas o biorreactores que utilizan agua. En general, los microorganismos presentes ayudan significativamente a descomponer la materia orgánica del suelo en nutrientes útiles para la supervivencia y el crecimiento de la planta, ya que la humedad es esencial para la proliferación bacteriana. En este trabajo, se examina la interacción entre el sustrato y el microbio (N) y el microbio y el gas que se produce (K) en el sistema AD mesófilo utilizando un modelo existente. Los resultados muestran que N y K oscilan entre 0,00046 y 0,0016 y 0,1643 y 0,1987, respectivamente, entre 25 y 45 ℃ para LM digerido durante 120 días. Los parámetros estadísticos, R2 y R2 ajustado muestran que el rendimiento empírico de biogás a diferentes opciones de temperatura mesófila se ajusta adecuadamente a los valores correlacionados para las estimaciones de los factores de interacción obtenidos. Este estudio, por implicación, buscó mejorar los estudios y la exploración de LM para uso agrícola y producción de biogás como un reemplazo potencial del costoso fertilizante químico

ASSESSING COCONUT OIL PROPERTIES AS A POTENTIAL REPLACEMENT OF THE TRANSFORMER OIL

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