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29.777  Articles
1 of 2.979 pages  |  10  records  |  more records»
Background. QSAR analysis is an important tool for the identification of pharmacophore fragments in biologically active substances and helps optimize the search for new effective drugs.Objective. The aim of the study was to determine the molecular descrip... see more

Xanthones and their derivatives have been reported to exhibit inhibitory activities towards Plasmodium falciparum. To provide deep insight into the correlation between inhibitory activities and structures of xanthones, linear regression method was employe... see more

Design of new potent insecticide compounds of organophosphate derivatives based on QSAR (Quantitative Structure-Activity Relationship) analytical model has been conducted. Organophosphate derivative compounds and their activities were obtained from the li... see more

Globally trichomoniasis affects approximately 152 million people as of 2010 (2.2% of the population). It is more common in women (2.7%) than males (1.4%). The American Social Health Association estimates trichomoniasis affects 7.4 million previously unaff... see more

Quantitative structure-activity relationship (QSAR) models are a tool for linking chemical activities with molecular structure and compositions. A large number of dicrotophos analogous organophosphate compounds acting as Acetylcholinesterase inhibitors wh... see more

A structurally diverse dataset of 530 polo-like kinase-1 (PLK1) inhibitors is compiled from the ChEMBL database and studied by means of a conformation-independent quantitative structure-activity relationship (QSAR) approach. A large number (26,761) of mol... see more

Non-small cell lung cancer (NSCLC) has evolved into the deadliest in the present scenario. The progression of NSCLC is mainly due to the dysregulation of the tyrosine kinase family's epidermal growth factor receptor (EGFR). Thus, EGFR has been widely stud... see more

Aedes aegypti is one of the most dangerous mosquitoes that can cause several deadly diseases, such as dengue fever, Chikungunya, Zika, and jaundice with high mortality rate. For now, no specific drug has been found that can cure the disease caused by Aede... see more

Quantitative structure-activity relationships (QSAR) are relevant techniques that assist biologists and chemists in accelerating the drug design process and help understanding many biological and chemical mechanisms. Using classical statistical methods ma... see more

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