Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular …

D Dey, R Hossain, P Biswas, P Paul, MA Islam… - Molecular …, 2023 - Springer
SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or
simply COVID-19) and poses a threat to the continued life of humans on the planet and …

Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the …

MA Hosen, NS Munia, M Al-Ghorbani, M Baashen… - Bioorganic …, 2022 - Elsevier
Nucleoside precursors and nucleoside analogs occupy an important place in the treatment
of viral respiratory pathologies, especially during the current COVID-19 pandemic. From this …

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 …

Missense mutations in spike protein of SARS‐CoV‐2 delta variant contribute to the alteration in viral structure and interaction with hACE2 receptor

TB Mahmood, MI Hossan, S Mahmud… - Immunity …, 2022 - Wiley Online Library
Introduction Many of the global pandemics threaten human existence over the decades
among which coronavirus disease (COVID‐19) is the newest exposure circulating …

Molecular docking and dynamics studies to explore effective inhibitory peptides against the spike receptor binding domain of SARS-CoV-2

S Biswas, S Mahmud, MA Mita, S Afrose… - Frontiers in Molecular …, 2022 - frontiersin.org
The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become
a pandemic due to the high transmission and mortality rate of this virus. The world health …

Design of Multi-Epitope Vaccine for Staphylococcus saprophyticus: Pan-Genome and Reverse Vaccinology Approach

M Yousaf, A Ullah, N Sarosh, SW Abbasi, S Ismail… - Vaccines, 2022 - mdpi.com
Staphylococcus saprophyticus is a Gram-positive coccus responsible for the occurrence of
cystitis in sexually active, young females. While effective antibiotics against this organism …

Integrating Reinforcement Learning and Monte Carlo Tree Search for enhanced neoantigen vaccine design

Y Lin, J Ma, H Yuan, Z Chen, X Xu… - Briefings in …, 2024 - academic.oup.com
Recent advances in cancer immunotherapy have highlighted the potential of neoantigen-
based vaccines. However, the design of such vaccines is hindered by the possibility of weak …

Molecular Docking and In Silico Simulation of Trichinella spiralis Membrane‐Associated Progesterone Receptor Component 2 (Ts-MAPRC2) and Its Interaction with …

MT Aleem, A Khan, Z Wen, Z Yu, K Li… - BioMed Research …, 2022 - Wiley Online Library
Background. Trichinellosis is a foodborne zoonotic disease caused by Trichinella spp.,
including Trichinella spiralis. This parasitic disease ranks as seven of the most infectious in …

Immunoinformatics-Driven Strategies for Advancing Epitope-Based Vaccine Design for West Nile Virus

ALL Windah, TE Tallei, BM AlShehail, EJ Suoth… - Journal of …, 2024 - Elsevier
Abstract The West Nile virus (WNV) is the causative agent of West Nile disease (WND),
which poses a potential risk of meningitis or encephalitis. The aim of the study was to design …

Synaptic vesicle protein 2 A mitigates parthanatos via apoptosis‐inducing factor in a rat model of pharmacoresistant epilepsy

C Li, Z Wang, M Ren, S Ren, G Wu… - CNS Neuroscience & …, 2024 - Wiley Online Library
Aims Synaptic vesicle protein 2A (SV2A) is a unique therapeutic target for
pharmacoresistant epilepsy (PRE). As seizure‐induced neuronal programmed death …