Phytochemicals from Amberboa ramosa as potential DPP-IV inhibitors for the management of Type-II Diabetes Mellitus: Inferences from In-silico Investigations
Diabetes is a chronic metabolic disorder, and as per the global burden, it is estimated that
around 462 million people will be affected due to the cause of this disease. Currently …
around 462 million people will be affected due to the cause of this disease. Currently …
Introduction of benzyloxy pharmacophore into aryl/heteroaryl chalcone motifs as a new class of monoamine oxidase B inhibitors
ST Sudevan, JM Oh, MA Abdelgawad… - Scientific reports, 2022 - nature.com
The inhibitory action of fifteen benzyloxy ortho/para-substituted chalcones (B1-B15) was
evaluated against human monoamine oxidases (hMAOs). All the molecules inhibited hMAO …
evaluated against human monoamine oxidases (hMAOs). All the molecules inhibited hMAO …
[HTML][HTML] Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents
The need for novel antiviral drug particularly for hepatitis B (HBV) and C (HCV) virus cannot
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N2-phenyl-N4-(4-Phenyl-5-(Phenyl Diazinyl)-2λ3, 3 λ2- Thiazol-2-yl) …
I Benjamin, H Louis, F O. Ekpen, TE Gber… - Polycyclic Aromatic …, 2023 - Taylor & Francis
To combat the rise of multidrug-resistant microorganisms like methicillin-resistant
Staphylococcus aureus (MRSA), new antibiotic classes are required. Hence, experimental …
Staphylococcus aureus (MRSA), new antibiotic classes are required. Hence, experimental …
Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine …
N Mujafarkani, MA Ojong, AJ Ahamed… - Journal of Molecular …, 2023 - Elsevier
This study articulates the synthesis, spectroscopic characterization, solvation effects,
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase
The genetic mutability of the influenza virus leads to the existence of drug-resistant strains
which is dangerous, particularly with the lingering coronavirus disease (COVID-19). This …
which is dangerous, particularly with the lingering coronavirus disease (COVID-19). This …
Development of isopropyl-tailed chalcones as a new class of selective MAO-B inhibitors for the treatment of Parkinson's disorder
S Kumar, JM Oh, MA Abdelgawad, MAS Abourehab… - ACS …, 2023 - ACS Publications
Thirteen isopropyl chalcones (CA1–CA13) were synthesized and evaluated for their
inhibitory activity against monoamine oxidase (MAO). All compounds inhibited MAO-B more …
inhibitory activity against monoamine oxidase (MAO). All compounds inhibited MAO-B more …
[HTML][HTML] Glyceroglycolipids in marine algae: A review of their pharmacological activity
S Guo, Z Wang - Frontiers in Pharmacology, 2022 - frontiersin.org
Glyceroglycolipids are major metabolites of marine algae and have a wide range of
applications in medicine, cosmetics, and chemistry research fields. They are located on the …
applications in medicine, cosmetics, and chemistry research fields. They are located on the …
Anti-inflammatory biomolecular activity of chlorinated-phenyldiazenyl-naphthalene-2-sulfonic acid derivatives: perception from DFT, molecular docking, and molecular …
AD Udoikono, EC Agwamba, H Louis… - Journal of …, 2023 - Taylor & Francis
In this study, two novel derivatives of naphthalene-2-sulfonic acid: 6-(((1S, 5R)-3, 5-dichloro-
2, 4, 6-triazabicyclo [z3. 1.0] hex-3-en-1-yl) amino)-5-((E)-phenyldiazenyl) naphthalene-2 …
2, 4, 6-triazabicyclo [z3. 1.0] hex-3-en-1-yl) amino)-5-((E)-phenyldiazenyl) naphthalene-2 …