[HTML][HTML] MM-GBSA and QM/MM simulation-based in silico approaches for the inhibition of Acinetobacter baumannii class D OXA-24 β-lactamase using antimicrobial …
M Mandal, S Mandal - Chemical Physics Impact, 2024 - Elsevier
The antimicrobial peptides (AMPs) have been regarded as the next generation antibiotics.
This study aimed to explore the AMP inhibitors of β-lactamase enzyme employing …
This study aimed to explore the AMP inhibitors of β-lactamase enzyme employing …
The combination of multi-approach studies to explore the potential therapeutic mechanisms of imidazole derivatives as an MCF-7 inhibitor in therapeutic strategies
Breast cancer covers a large area of research because of its prevalence and high frequency
all over the world. This study is based on drug discovery against breast cancer from a series …
all over the world. This study is based on drug discovery against breast cancer from a series …
Exploring Citrus sinensis Phytochemicals as Potential Inhibitors for Breast Cancer Genes BRCA1 and BRCA2 Using Pharmacophore Modeling, Molecular Docking …
Background: Structure–activity relationship (SAR) is considered to be an effective in silico
approach when discovering potential antagonists for breast cancer due to gene mutation …
approach when discovering potential antagonists for breast cancer due to gene mutation …
Quercetin and taxifolin inhibits TMPRSS2 activity and its interaction with EGFR in paclitaxel‐resistant breast cancer cells: An in silico and in vitro study
DB Kundrapu, AK Chaitanya, K Manaswi… - Chemical Biology & …, 2024 - Wiley Online Library
Abstract Transmembrane protease/serine (TMPRSS2), a type II transmembrane serine
protease, plays a crucial role in different stages of cancer. Recent studies have reported that …
protease, plays a crucial role in different stages of cancer. Recent studies have reported that …
Telmisartan loaded lipid nanocarrier as a potential repurposing approach to treat glioma: Characterization, apoptosis evaluation in U87MG cells, pharmacokinetic and …
The study explores anticancer potential of telmisartan (TS) loaded lipid nanocarriers (TLNs)
in glioma cells as a potential repurposing nanomodality along with estimation of drug …
in glioma cells as a potential repurposing nanomodality along with estimation of drug …
Comparative study between antiviral drugs and natural compounds against “Cryo-EM structure of the SARS-CoV-2 Omicron spike”
Coronavirus is the+ ve sense and single-stranded RNA virus, which mutated continually
resulting in new variants such as alpha, delta and Omicron. The available vaccines are not …
resulting in new variants such as alpha, delta and Omicron. The available vaccines are not …
Bioinformatic investigation of Nipah virus surface protein mutations: Molecular docking with Ephrin B2 receptor, molecular dynamics simulation, and structural impact …
The SARS‐CoV‐2 outbreak resulted in significant challenges and loss of life. The Nipah
virus, known for its high infectivity and severity, was designated an emergency concern by …
virus, known for its high infectivity and severity, was designated an emergency concern by …
Investigating the binding affinity, molecular dynamics, and ADMET properties of curcumin-IONPs as a mucoadhesive bioavailable oral treatment for iron deficiency …
MY Alsedfy, AA Ebnalwaled, M Moustafa, AH Said - Scientific Reports, 2024 - nature.com
Iron deficiency anemia (IDA) is a common health issue, and researchers are interested in
overcoming it. Nanotechnology green synthesis is one of the recent approaches to making …
overcoming it. Nanotechnology green synthesis is one of the recent approaches to making …
In silico vaccine design for Yersinia enterocolitica: A comprehensive approach to enhanced immunogenicity, efficacy and protection
Yersinia enterocolitica, a foodborne pathogen, has emerged as a significant public health
concern due to its increased prevalence and multidrug resistance. This study employed …
concern due to its increased prevalence and multidrug resistance. This study employed …
Exploration of phenolic acid derivatives as inhibitors of SARS-CoV-2 main protease and receptor binding domain: potential candidates for anti-SARS-CoV-2 therapy
Severe acute respiratory Syndrome-Coronavirus-2 (SARS-CoV-2) is the etiological virus of
Coronavirus Disease 2019 (COVID-19) which has been a public health concern due to its …
Coronavirus Disease 2019 (COVID-19) which has been a public health concern due to its …