Structural insights and antioxidant analysis of a tri-methoxy chalcone with potential as a diesel-biodiesel blend additive

2022 ◽  
Vol 227 ◽  
pp. 107122
Author(s):  
Cauã A. Moreira ◽  
Eduardo C.M. Faria ◽  
Jaqueline E. Queiroz ◽  
Vitor S. Duarte ◽  
Marcelo do N. Gomes ◽  
...  
Keyword(s):  
Biodiesel Blend ◽  
Structural Insights

Binding Mechanism and Structural Insights into the Identified Protein Target of Covid-19 with In-Vitro Effective Drug Ivermectin

2020 ◽  
Author(s):  
Parth Sarthi Sen Gupta ◽  
Satyaranjan Biswal ◽  
Saroj Kumar Panda ◽  
Abhik Kumar Ray ◽  
Malay Kumar Rana
Keyword(s):  
Ternary Complex ◽  
Bound State ◽  
Molecular Target ◽  
Cooperative Interaction ◽  
Effective Drug ◽  
Rna Dependent Rna Polymerase ◽  
Protein Target ◽  
Ternary Complex Formation ◽  
Structural Insights

<p>While an FDA approved drug Ivermectin was reported to dramatically reduce the cell line of SARS-CoV-2 by ~5000 folds within 48 hours, the precise mechanism of action and the COVID-19 molecular target involved in interaction with this in-vitro effective drug are unknown yet. Among 12 different COVID-19 targets studied here, the RNA dependent RNA polymerase (RdRp) with RNA and Helicase NCB site show the strongest affinity to Ivermectin amounting -10.4 kcal/mol and -9.6 kcal/mol, respectively. Molecular dynamics of corresponding protein-drug complexes reveals that the drug bound state of RdRp with RNA has better structural stability than the Helicase NCB site, with MM/PBSA free energy of -135.2 kJ/mol, almost twice that of Helicase (-76.6 kJ/mol). The selectivity of Ivermectin to RdRp is triggered by a cooperative interaction of RNA-RdRp by ternary complex formation. Identification of the target and its interaction profile with Ivermectin can lead to more powerful drug designs for COVID-19 and experimental exploration. </p>

STUDI PENENTUAN KOMPOSISI OPTIMUM CAMPURAN BAHAN BAKAR BIODIESEL–PETRODIESEL

2018 ◽  
Vol 4 (2) ◽  
Author(s):  
Soni S. Wirawan dkk
Keyword(s):  
Carbon Monoxide ◽  
Particulate Matter ◽  
Diesel Engine ◽  
Fuel Consumption ◽  
Diesel Fuel ◽  
Cetane Number ◽  
Price Policy ◽  
Oxides Of Nitrogen ◽  
Fuel Price ◽  
Biodiesel Blend

Biodiesel is a viable substitute for petroleum-based diesel fuel. Its advantages are improved lubricity, higher cetane number and cleaner emission. Biodiesel and its blends with petroleum-based diesel fuel can be used in diesel engines without any signifi cant modifi cations to the engines. Data from the numerous research reports and test programs showed that as the percent of biodiesel in blends increases, emission of hydrocarbons (HC), carbon monoxide (CO), and particulate matter (PM) all decrease, but the amount of oxides of nitrogen (NOx) and fuel consumption is tend to increase. The most signifi cant hurdle for broader commercialization of biodiesel is its cost. In current fuel price policy in Indonesia (especially fuel for transportation), the higher percent of biodiesel in blend will increase the price of blends fuel. The objective of this study is to assess the optimum blends of biodiesel with petroleum-based diesel fuel from the technically and economically consideration. The study result recommends that 20% biodiesel blend with 80% petroleum-based diesel fuel (B20) is the optimum blend for unmodifi ed diesel engine uses.Keywords: biodiesel, emission, optimum, blend

Sign in / Sign up

Export Citation Format

Share Document