Drug designing in discovery studio
BL Jejurikar, SH Rohane - 2021 - indianjournals.com
The process of drug development and drug discovery is very challenging expensive and
time consuming. It has been accelerated due to devlopment of computational tools and …
time consuming. It has been accelerated due to devlopment of computational tools and …
QSAR, ADMET In silico pharmacokinetics, molecular docking and molecular dynamics studies of novel bicyclo (aryl methyl) benzamides as potent GlyT1 inhibitors for …
Forty-four bicyclo ((aryl) methyl) benzamides, acting as glycine transporter type 1 (GlyT1)
inhibitors, are developed using molecular modeling techniques. QSAR models generated by …
inhibitors, are developed using molecular modeling techniques. QSAR models generated by …
[HTML][HTML] In-silico screening based on molecular simulations of 3, 4-disubstituted pyrrolidine sulfonamides as selective and competitive GlyT1 inhibitors
A systematic in-silico study based on molecular modeling techniques was conducted on
thirty 3, 4-disubstituted pyrrolidine sulfonamides derivatives to identify the drug candidate for …
thirty 3, 4-disubstituted pyrrolidine sulfonamides derivatives to identify the drug candidate for …
QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties
A structural class of forty glycine transporter type 1 (GlyT1) inhibitors, was examined using
molecular modeling techniques. The quantitative structure-activity relationships (QSAR) …
molecular modeling techniques. The quantitative structure-activity relationships (QSAR) …
[HTML][HTML] Application of nanofiber-based drug delivery systems in improving anxiolytic effect of new 1, 2, 3-triazolo-1, 4-benzodiazepine derivatives
Anxiety disorders are highly prevalent worldwide and can affect people of all ages, genders
and backgrounds. Much efforts and resources have been directed at finding new anxiolytic …
and backgrounds. Much efforts and resources have been directed at finding new anxiolytic …
Synthesis, spectroscopic characterization, crystal structure, DFT, ESI-MS studies, molecular docking and in vitro antibacterial activity of 1, 5-benzodiazepin-2-one …
K Chkirate, J Akachar, B Hni, T Hökelek… - Journal of Molecular …, 2022 - Elsevier
Abstract Two novel 1, 5-benzodiazepin-2-one derivatives were prepared and characterized
using different spectroscopic techniques and single crystal X-ray diffraction. The DFT-B3LYP …
using different spectroscopic techniques and single crystal X-ray diffraction. The DFT-B3LYP …
DFT and In-silico Investigations, along with In-vitro Antitumor and Antimicrobial Assessments of Pharmacological Molecules
MH Alsehli, DS Seth, MSA El-Gaby… - Current Organic …, 2023 - ingentaconnect.com
Background: Molecules bearing an active methylene bridge are one of the most fruitful and
remarkable precursors that have been incorporated into the synthetic strategy of an …
remarkable precursors that have been incorporated into the synthetic strategy of an …
A magnetic nanocatalyst based on Bronsted acid and Lewis acid centers for the efficient synthesis of polycyclic melting 1, 5-benzodiazepines
H Ru, N Liu, S Li, L Wang - Journal of Molecular Structure, 2025 - Elsevier
Abstract In this study, 3-(Triethoxysilyl) propyl chloride (CPTES) was used to modify the
surface of magnetic nanoparticles Fe 3 O 4@ SiO 2, and aminomethylphosphonic acid …
surface of magnetic nanoparticles Fe 3 O 4@ SiO 2, and aminomethylphosphonic acid …
Molecular Docking Analysis of Natural Compounds Against Serotonin Transporter (SERT)
Depression is one of the leading threats to the global health characterized by low mood and
sadness and even loss in interest in daily routine activities. For treating depression …
sadness and even loss in interest in daily routine activities. For treating depression …
Crystal structure, Hirshfeld surface analysis and computational studies of (E)-2, 2-dimethyl-4-styryl-2, 3-dihydro-1H-benzo [b][1, 4] diazepine
F Odame, T Madanhire, E Hosten… - Moroccan Journal of …, 2023 - revues.imist.ma
The crystal structure, Hirshfeld surface analysis, and computational studies of (E)-2, 2-
dimethyl-4-styryl-2, 3-dihydro-1H-benzo [b][1, 4] diazepine have been presented. The …
dimethyl-4-styryl-2, 3-dihydro-1H-benzo [b][1, 4] diazepine have been presented. The …