Inhibitory potential of nitrogen, oxygen and sulfur containing heterocyclic scaffolds against acetylcholinesterase and butyrylcholinesterase
Heterocycles are the key structures in organic chemistry owing to their immense applications
in the biological, chemical, and pharmaceutical fields. Heterocyclic compounds perform …
in the biological, chemical, and pharmaceutical fields. Heterocyclic compounds perform …
Recent advancement of piperidine moiety in treatment of cancer-A review
Piperidine is an important pharmacophore, a privileged scaffold and an excellent
heterocyclic system in the field of drug discovery which provides numerous opportunities in …
heterocyclic system in the field of drug discovery which provides numerous opportunities in …
Be aware of error measures. Further studies on validation of predictive QSAR models
Validation is the most crucial concept for development and application of quantitative
structure–activity relationship (QSAR) models. The validation process confirms the reliability …
structure–activity relationship (QSAR) models. The validation process confirms the reliability …
How important is to detect systematic error in predictions and understand statistical applicability domain of QSAR models?
One of the important applications of quantitative structure-activity relationship (QSAR)
models is to fill data gaps by predicting a given response property or activity from known …
models is to fill data gaps by predicting a given response property or activity from known …
Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?
Quantitative structure‐activity/property/toxicity relationship (QSAR/QSPR/QSTR) models are
effectively employed to fill data gaps by predicting a given response from known structural …
effectively employed to fill data gaps by predicting a given response from known structural …
How precise are our quantitative structure–activity relationship derived predictions for new query chemicals?
Quantitative structure–activity relationship (QSAR) models have long been used for making
predictions and data gap filling in diverse fields including medicinal chemistry, predictive …
predictions and data gap filling in diverse fields including medicinal chemistry, predictive …
Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approach
Alzheimer's disease (AD) is a multi-factorial disease, which can be simply outlined as an
irreversible and progressive neurodegenerative disorder with an unclear root cause. It is a …
irreversible and progressive neurodegenerative disorder with an unclear root cause. It is a …
The “double cross-validation” software tool for MLR QSAR model development
Quantitative structure–activity relationship (QSAR) modeling is a widely used computational
technique applied in various fields including rational drug design, toxicity and property …
technique applied in various fields including rational drug design, toxicity and property …
Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies
The synthesis of novel indolopyrazoline derivatives (P1-P4 and Q1-Q4) has been
characterized and evaluated as potential anti-Alzheimer agents through in vitro …
characterized and evaluated as potential anti-Alzheimer agents through in vitro …
Ultrasound-Promoted Expedient and Green Synthesis of Diversely Functionalized 6-Amino-5-((4-hydroxy-2-oxo-2H-chromen-3-yl)(aryl)methyl)pyrimidine-2,4(1H,3H …
G Brahmachari, M Mandal, I Karmakar… - ACS Sustainable …, 2019 - ACS Publications
Development of an ultrasound-promoted green protocol to access pharmaceutically relevant
functionalized coumarin-uracil molecular hybrids, 6-amino-5-((4-hydroxy-2-oxo-2 H …
functionalized coumarin-uracil molecular hybrids, 6-amino-5-((4-hydroxy-2-oxo-2 H …