Ecotoxicological QSTR and QSTTR modeling for the prediction of acute oral toxicity of pesticides against multiple avian species
The ever-increasing use of pesticides in response to the rising agricultural demand has
threatened the existence of nontarget organisms like avian species, disrupting the global …
threatened the existence of nontarget organisms like avian species, disrupting the global …
Machine learning-based q-RASAR approach for the in silico identification of novel multi-target inhibitors against Alzheimer's disease
In the present research, we present the application of a novel approach, termed the Machine
Learning (ML)-Based q-RASAR (quantitative read-across structure-activity relationship) …
Learning (ML)-Based q-RASAR (quantitative read-across structure-activity relationship) …
Multi-target QSAR modeling for the identification of novel inhibitors against Alzheimer's disease
Alzheimer's disease (AD) is an age-related neurodegenerative disorder, which is the most
common cause of dementia in elderly individuals. It is characterized by selective neuronal …
common cause of dementia in elderly individuals. It is characterized by selective neuronal …
In silico modeling for dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes in Alzheimer's disease
In this research, we have implemented two-dimensional quantitative structure-activity
relationship (2D-QSAR) modeling using two different datasets, namely, acetylcholinesterase …
relationship (2D-QSAR) modeling using two different datasets, namely, acetylcholinesterase …
Recent Progress in the Treatment Strategies for Alzheimer's Disease
Alzheimer's disease (AD) is a neurological ailment that affects older people and causes a
steady decline in their cognitive function. The cognitive impairments found are presumed to …
steady decline in their cognitive function. The cognitive impairments found are presumed to …
Chronic aquatic toxicity assessment of diverse chemicals on Daphnia magna using QSAR and chemical read-across
We have modeled here chronic Daphnia toxicity taking pNOEC (negative logarithm of no
observed effect concentration in mM) and pEC 50 (negative logarithm of half-maximal …
observed effect concentration in mM) and pEC 50 (negative logarithm of half-maximal …
Effect of Myricetin on CYP2C8 Inhibition to Assess the Likelihood of Drug Interaction Using In Silico, In Vitro, and In Vivo Approaches
Myricetin, a bioflavonoid, is widely used as functional food/complementary medicine and
has promising multifaceted pharmacological actions against therapeutically validated …
has promising multifaceted pharmacological actions against therapeutically validated …
Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) outbreak is posing a
serious public health threat worldwide in the form of COVD-19. Herein, we have performed …
serious public health threat worldwide in the form of COVD-19. Herein, we have performed …
Amalgamation of in-silico, in-vitro and in-vivo approach to establish glabridin as a potential CYP2E1 inhibitor
CYP2E1 is directly or indirectly involved in the metabolism of ethanol and endogenous fatty
acids but it plays a major role in the bio-activation of toxic substances that produce reactive …
acids but it plays a major role in the bio-activation of toxic substances that produce reactive …
[HTML][HTML] An improved artificial bee colony for feature selection in QSAR
Y Lin, J Wang, X Li, Y Zhang, S Huang - Algorithms, 2021 - mdpi.com
Quantitative Structure–Activity Relationship (QSAR) aims to correlate molecular structure
properties with corresponding bioactivity. Chance correlations and multicollinearity are two …
properties with corresponding bioactivity. Chance correlations and multicollinearity are two …