Quick and efficient quantitative predictions of androgen receptor binding affinity for screening endocrine disruptor chemicals using 2D-QSAR and chemical read …
Abstract Endocrine Disruptor Chemicals are synthetic or natural molecules in the
environment that promote adverse modifications of endogenous hormone regulation in …
environment that promote adverse modifications of endogenous hormone regulation in …
Deciphering the interactions of bioactive compounds in selected traditional medicinal plants against Alzheimer's diseases via pharmacophore modeling, auto-QSAR …
Neurodegenerative diseases, for example Alzheimer's, are perceived as driven by
hereditary, cellular, and multifaceted biochemical actions. Numerous plant products, for …
hereditary, cellular, and multifaceted biochemical actions. Numerous plant products, for …
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 …
Exploring QSAR models for assessment of acute fish toxicity of environmental transformation products of pesticides (ETPPs)
Environmental transformation products of pesticides (ETPPs) have a great deal of ecological
impact owing to their ability to cause toxicity to the aquatic organisms, which can then be …
impact owing to their ability to cause toxicity to the aquatic organisms, which can then be …
Design of curcumin and flavonoid derivatives with acetylcholinesterase and beta-secretase inhibitory activities using in silico approaches
Acetylcholinesterase (AChE) and beta-secretase (BACE-1) are the two crucial enzymes
involved in the pathology of Alzheimer's disease. The former is responsible for many defects …
involved in the pathology of Alzheimer's disease. The former is responsible for many defects …
QSAR modeling, molecular docking, dynamic simulation and ADMET study of novel tetrahydronaphthalene derivatives as potent antitubercular agents
A Moulishankar, T Sundarrajan - Beni-Suef University Journal of Basic and …, 2023 - Springer
Background Tuberculosis is an air-borne contagious disease caused by slow-growing
Mycobacterium tuberculosis (Mtb). According to Global Tuberculosis Report 2022, 1.6 …
Mycobacterium tuberculosis (Mtb). According to Global Tuberculosis Report 2022, 1.6 …
[HTML][HTML] First report on the QSAR modelling and multistep virtual screening of the inhibitors of nonstructural protein Nsp14 of SARS-CoV-2: reducing unnecessary …
Q Wang, T Fan, R Jia, N Zhang, L Zhao… - Arabian Journal of …, 2024 - Elsevier
Abstract Corona Virus Disease 2019 (COVID-19), caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), poses a serious threat to human health and life …
syndrome coronavirus 2 (SARS-CoV-2), poses a serious threat to human health and life …
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 …