Design, synthesis, pharmacological and in silico screening of disubstituted-piperazine derivatives as selective and reversible MAO-A inhibitors for treatment of …
Monoamine oxidase-A inhibitors (MAO-AIs) are potential drug candidates for the treatment
of depression. In the present study, a series of substituted benzenesulfonyl piperazine (NP1 …
of depression. In the present study, a series of substituted benzenesulfonyl piperazine (NP1 …
Isolation, Identification, and Antibacterial Properties of Prodigiosin, a Bioactive Product Produced by a New Serratia marcescens JSSCPM1 Strain: Exploring the Biosynthetic …
Prodigiosin pigment has high medicinal value, so exploring this compound is a top priority.
This report presents a prodigiosin bioactive compound isolated from Serratia marcescens …
This report presents a prodigiosin bioactive compound isolated from Serratia marcescens …
Concatenation of molecular docking and molecular simulation of BACE-1, γ-secretase targeted ligands: in pursuit of Alzheimer's treatment
Introduction Alzheimer's disease (AD), the most predominant cause of dementia, has
evolved tremendously with an escalating frequency, mainly affecting the elderly population …
evolved tremendously with an escalating frequency, mainly affecting the elderly population …
Exploring α, β-unsaturated carbonyl compounds against bacterial efflux pumps via computational approach
S Dey, S Rathod, K Gumphalwad, N Yadav… - Journal of …, 2024 - Taylor & Francis
Antibiotic resistance has become a pressing global health crisis, with bacterial infections
increasingly difficult to treat due to the emergence of multidrug resistance. This study aims to …
increasingly difficult to treat due to the emergence of multidrug resistance. This study aims to …
HeroMDAnalysis: an automagical tool for GROMACS-based molecular dynamics simulation analysis
Background & objective: Molecular dynamics simulations (MDS) using GROMACS are
among the commonly used computational experiments in the area of molecular biology and …
among the commonly used computational experiments in the area of molecular biology and …
Design, synthesis, spectroscopic characterization, in-vitro antibacterial evaluation and in-silico analysis of polycaprolactone containing chitosan-quercetin …
Aim of present study was to synthesize a novel chitosan-quercetin (CTS-QT) complex by
making a carbodiimide linkage using maleic anhydride as cross-linker and to investigate its …
making a carbodiimide linkage using maleic anhydride as cross-linker and to investigate its …
In silico and in vitro evaluation of efflux pumps inhibition of α,β-amyrin
RC Oliveira, PN Bandeira, TLG Lemos… - Journal of …, 2022 - Taylor & Francis
The use of the bacterial efflux pump mechanism to reduce the concentrations of antibiotics in
the intracellular to the extracellular region is one of the main mechanisms by which bacteria …
the intracellular to the extracellular region is one of the main mechanisms by which bacteria …
Plant-based analogues identified as potential inhibitor against tobacco mosaic virus: A biosimulation approach
Benzosuberene compounds with a pyrrolone group adhered to it are compounds extracted
from the oils of Cedrus deodara plant, that bear inhibitory capabilities. Tobacco mosaic virus …
from the oils of Cedrus deodara plant, that bear inhibitory capabilities. Tobacco mosaic virus …
Allostery inhibition of BACE1 by psychotic and meroterpenoid drugs in Alzheimer's disease therapy
In over a century since its discovery, Alzheimer's disease (AD) has continued to be a global
health concern due to its incurable nature and overwhelming increase among older people …
health concern due to its incurable nature and overwhelming increase among older people …
Design of Novel Imidazole Derivatives as Potential Non-nucleoside Reverse Transcriptase Inhibitors using Molecular Docking and Dynamics Strategies
Introduction Human Immunodeficiency Virus (HIV) has become an epidemic causing
Acquired Immunodeficiency Syndrome (AIDS). Highly Active Antiretroviral Therapy (HAART) …
Acquired Immunodeficiency Syndrome (AIDS). Highly Active Antiretroviral Therapy (HAART) …