Principles of early drug discovery
JP Hughes, S Rees, SB Kalindjian… - British journal of …, 2011 - Wiley Online Library
Develo** a new drug from original idea to the launch of a finished product is a complex
process which can take 12–15 years and cost in excess of $1 billion. The idea for a target …
process which can take 12–15 years and cost in excess of $1 billion. The idea for a target …
Identification of new small molecule monoamine oxidase-B inhibitors through pharmacophore-based virtual screening, molecular docking and molecular dynamics …
S Kumar, SR Ayyannan - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
The discovery of a safe and efficacious drug is a complex, time-consuming, and expensive
process. Computational methodologies driven by cheminformatics tools play a central role in …
process. Computational methodologies driven by cheminformatics tools play a central role in …
Monoamine oxidase inhibitors: ten years of docking studies
The number of papers dealing with the structure-based drug design is continuously growing,
which demonstrates the importance of such tools in medicinal chemistry. In the current …
which demonstrates the importance of such tools in medicinal chemistry. In the current …
Discovery of novel phosphodiesterase-2A inhibitors by structure-based virtual screening, structural optimization, and bioassay
C Zhang, LJ Feng, Y Huang, D Wu, Z Li… - Journal of Chemical …, 2017 - ACS Publications
Phosphodiesterase-2A (PDE2A) is a potential therapeutic target for treatment of Alzheimer's
disease and pulmonary hypertension. However, most of the current PDE2A inhibitors have …
disease and pulmonary hypertension. However, most of the current PDE2A inhibitors have …
Targeting monoamine oxidase B for the treatment of Alzheimer's and Parkinson's diseases using novel inhibitors identified using an integrated approach of machine …
Neurological disorders are disorders characterized by progressive loss of neurons leading
to disability. Neurotransmitters such as nor-adrenaline, dopamine, and serotonin are …
to disability. Neurotransmitters such as nor-adrenaline, dopamine, and serotonin are …
Almond intake during pregnancy in rats improved the cognitive performance of adult male offspring
Background: Based on evidence there are accepted links among early nutrition, epigenetic
processes, and cognitive performance. Almond as a nutritious food could exert …
processes, and cognitive performance. Almond as a nutritious food could exert …
Near-Infrared Fluorescence Probe for Monoamine Oxidase A with a Large Stokes Shift for Intraoperative Navigation
L Zhang, R Zhang, X Cong, M He, X Zhao… - ACS Applied Bio …, 2024 - ACS Publications
Monoamine oxidase A (MAO-A) is a dimeric flavoprotein that is found in the mitochondrial
membrane. Currently, there is a lack of near-infrared fluorescent probes (NIR-FPs) with good …
membrane. Currently, there is a lack of near-infrared fluorescent probes (NIR-FPs) with good …
WaterMap‐Guided Structure‐Based Virtual Screening for Acetylcholinesterase Inhibitors
Abstract Structure‐based virtual screening of the Enamine database of 1.7 million
compounds followed by WaterMap calculations (a molecular‐dynamics‐simulation‐based …
compounds followed by WaterMap calculations (a molecular‐dynamics‐simulation‐based …
Design, synthesis, in vitro MAO‐B inhibitory evaluation, and computational studies of some 6‐nitrobenzothiazole‐derived semicarbazones
Abstract Monoamine oxidase B (MAO‐B) is an important drug target for the treatment of
neurological disorders. A series of 6‐nitrobenzothiazole‐derived semicarbazones were …
neurological disorders. A series of 6‐nitrobenzothiazole‐derived semicarbazones were …
Pyrazoline based MAO inhibitors: synthesis, biological evaluation and SAR studies
M Jagrat, J Behera, S Yabanoglu, A Ercan… - Bioorganic & medicinal …, 2011 - Elsevier
Twenty-two pyrazoline derivatives were synthesized and tested for their human MAO
(hMAO) inhibitory activity. Twelve molecules with unsubstituted ring A and substituted ring C …
(hMAO) inhibitory activity. Twelve molecules with unsubstituted ring A and substituted ring C …