QSAR modeling of naphthalene derivatives for inhibition of aldosterone synthase as potential target for cardiovascular diseases

QSAR modeling of naphthalene derivatives for inhibition of aldosterone synthase as potential target for cardiovascular diseases

The aim of this study was to explore data from different families of compounds through the use of a variety of machine learning techniques. The robust quantitative structure-activity relationship (QSAR)-based models were developed to further guide in the quest for new potent anti-cardiovascular disease compounds. QSAR study was conducted on 1-Phenylsulfinyl-3-(pyridin-3-yl)naphthalen-2-ols and related compounds to determine their efficacy as anti-cardiovascular disease drugs. Multiple linear ...

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QSAR modeling of Quinoline derivatives as potential target for Hepatitis B virus

QSAR modeling of Quinoline derivatives as potential target for Hepatitis B virus

The goal of the present study is the exploration of data from different families of compounds through the use of a variety of machine learning techniques so that robust QSAR-based models can be developed to further guide in the quest for new potent Hepatitis B virus compounds. In this work quantitative structure-activity relationship (QSAR) study has been done on 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl) quinolin-2(1H)-one and related compounds as Hepatitis B drugs. Multiple linear ...

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In silico potential vaccine against oprF in multidrug-resistant Pseudomonas aeruginosa

In silico potential vaccine against oprF in multidrug-resistant Pseudomonas aeruginosa

Pseudomonas aeruginosa is an important cause of nosocomial infection and may lead to septicemia and death. P. aeruginosa septicaemia is associated with the highest mortality rate of all Gram-negative infections. Because of the general resistance of the organism to antibiotics, research has been focused on immunotherapy. There are several bacterial cell components incorporated into subunit vaccines. Vaccine studies have often focussed on lipopolysaccharide (LPS) and the outer membrane proteins ...

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In silico potential vaccine against hps06257 in Haemophilus parasuis serovar 5

In silico potential vaccine against hps06257 in Haemophilus parasuis serovar 5

Haemophilus parasuis is a small, pleomorphic, NAD-dependent member of the family Pasteurellaceae. This bacterium is the etiological agent of Gl auml;sser rsquo;s disease in swine, which is characterized by polyserositis and arthritis. Once a sporadic disease, it has increased in prevalence and severity in recent years with the adoption of new production technologies which has led to pigs being susceptible to this infection. However, a lack of protective cross-immunity against some strains and ...

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