Target-specificity of different amyrin subunits in impeding HCV influx mechanism inside the human cells considering the quantum tunnel profiles and molecular strings …

A Jabin, MF Uddin, S Al Azad, A Rahman… - In Silico …, 2023 - Springer
HCV is a hepatotropic RNA virus recognized for its frequent virulence and fatality worldwide.
Despite many vaccine development programs underway, researchers are on a quest for …

Molecular Optimization, Docking and Dynamic Simulation Study of Selective Natural Aromatic Components to Block E2-CD81 Complex Formation in Predating …

MDA SHARIF, MD HOSSEN… - International …, 2021 - search.ebscohost.com
The comprehensive research aimed to figure out selective novel aromatic phytochemical
ligands to impede Hepatitis C Virus infection through aborting CD81-E2 complex formation …

Natural flavonoids effectively block the CD81 receptor of hepatocytes and inhibit HCV infection: A computational drug development approach

D Dey, P Biswas, P Paul, S Mahmud, TI Ema… - Molecular Diversity, 2023 - Springer
Hepatitis C virus (HCV) infection is a major public health concern, and almost two million
people are infected per year globally. This is occurred by the diverse spectrum of viral …

Preliminary study to identify CXCR4 inhibitors as potential therapeutic agents for Alzheimer's and Parkinson's diseases

R Tripathi, P Kumar - Integrative Biology, 2023 - academic.oup.com
Neurodegenerative disorders (NDDs) are known to exhibit genetic overlap and shared
pathophysiology. This study aims to find the shared genetic architecture of Alzheimer's …

Modeling studies on the role of vitamins B1 (thiamin), B3 (nicotinamide), B6 (pyridoxamine), and caffeine as potential leads for the drug design against COVID-19

M Aghamohammadi, M Sirouspour… - Journal of Molecular …, 2022 - Springer
In response to the COVID-19 pandemic, and the lack of effective and safe antivirals against
it, we adopted a new approach in which food supplements with vital antiviral characteristics …

Computational study of natural compounds for the clearance of amyloid-βeta: A potential therapeutic management strategy for Alzheimer's Disease

SS Ahmad, H Khan, SM Danish Rizvi, SA Ansari… - Molecules, 2019 - mdpi.com
Alzheimer's disease (AD) is a widespread dynamic neurodegenerative malady. Its etiology
is still not clear. One of the foremost pathological features is the extracellular deposits of …

In silico analysis and experimental validation of azelastine hydrochloride (N4) targeting sodium taurocholate co‐transporting polypeptide (NTCP) in HBV therapy

LL Fu, J Liu, Y Chen, FT Wang, X Wen, HQ Liu… - Cell …, 2014 - Wiley Online Library
Objectives The aim of this study was to explore sodium taurocholate co‐transporting
polypeptide (NTCP) exerting its function with hepatitis B virus (HBV) and its targeted …

Phytoconstituents of Ashwagandha as potential inhibitors of human islet amyloid polypeptide (hIAPP): an in silico investigation

Nandeshwar, J Rout, SM Panda… - Journal of Biomolecular …, 2023 - Taylor & Francis
Amylin or human islet amyloid polypeptide (hIAPP) is a small peptide co-secreted with
insulin. Its peripheral aggregation on the lipid bilayer leads to fibril formation. The formation …

[HTML][HTML] Identification of novel MCM2 inhibitors from Catharanthus roseus by pharmacoinformatics, molecular docking and molecular dynamics simulation-based …

KMS Andalib, P Biswas, MR Sakib, MN Hasan… - Informatics in Medicine …, 2023 - Elsevier
Nearly all living cells undergo DNA replication in order to duplicate their genome; this multi-
step biological process is tightly regulated by different cellular machineries and numerous …

Elucidating the effects of curcumin against influenza using in silico and in vitro approaches

M Kim, H Choi, S Kim, LW Kang, YB Kim - Pharmaceuticals, 2021 - mdpi.com
The influenza virus is a constantly evolving pathogen that challenges medical and public
health systems. Traditionally, curcumin has been used to treat airway inflammatory …