Therapeutic efficacy of benzimidazole and its analogs: An update

NJ Basha - Polycyclic Aromatic Compounds, 2023 - Taylor & Francis
Benzimidazoles, one of the nitrogen heterocycles, possess pharmaceutical and biological
potential. This heterocycle has been known for pharmacological activities such as …

Exploring the Role of Molecular Dynamics Simulations in Most Recent Cancer Research: Insights into Treatment Strategies

R Bozorgpour, S Sheybanikashani… - arXiv preprint arXiv …, 2023 - arxiv.org
Cancer is a complex disease that is characterized by uncontrolled growth and division of
cells. It involves a complex interplay between genetic and environmental factors that lead to …

Delineation of the CENP-LN sub-complex dissociation mechanism upon multisite phosphorylation during mitosis

OA Durojaye - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
Phosphorylation is the most prevalent form of regulation in cells, organizing virtually all
cellular functions, including survival, motility, differentiation, proliferation, and metabolism …

Implication of Ab Initio, QM/MM, and molecular dynamics calculations on the prediction of the therapeutic potential of some selected HDAC inhibitors

R Dushanan, S Weerasinghe… - Molecular …, 2022 - Taylor & Francis
Epigenetics regulates gene expression through post-translational modification of protein
complexes accompanying DNA. The most significant modification in histone protein is …

Resveratrol inhibits pseudorabies virus replication by targeting IE180 protein

X Chen, X Song, L Li, Y Chen, R Jia, Y Zou… - Frontiers in …, 2022 - frontiersin.org
Resveratrol is a natural polyphenolic product in red wine and peanuts and has many
pharmacological activities in humans. Our previous studies showed that resveratrol has …

Identify the effect of As (III) on the structural stability of monomeric PKM2 and its carcinogenicity: A molecular dynamics and QM/MM based approach

P Paligaspe, S Weerasinghe, DP Dissanayake… - Journal of Molecular …, 2021 - Elsevier
Abstract Pyruvate Kinase M2 (PKM2) isozyme is categorized under the pyruvate kinase
family, and it catalyzes the final step in the glycolysis process. PKM2 enzyme is highly …

Driving the new generation histone deacetylase inhibitors in cancer therapy; manipulation of the histone abbreviation at the epigenetic level: an in-silico approach

R Dushanan, S Weerasinghe… - Canadian Journal of …, 2022 - cdnsciencepub.com
Histone deacetylase (HDAC) is an enzyme that deacetylates the histone protein by
removing the acetyl group from the lysine residues. The overexpression of the HDAC …

An In-Silico Approach to Evaluate the Inhibitory Potency of Selected Hydroxamic Acid Derivatives on Zinc-Dependent Histone Deacetylase Enzyme

R Dushanan, S Weerasinghe… - Journal of …, 2021 - World Scientific
Histone deacetylase (HDAC) enzymes modify the histone by removing the acetyl group from
the lysine residues, known as histone deacetylation. HDACs have been involved in altering …

[PDF][PDF] An assessment of water quality temporal variation in Sri Jayawardenapura Kotte canal, Sri Lanka

K Nishanthi, R Dushanan, S Mathanraj… - World News of …, 2021 - bibliotekanauki.pl
Assessment of temporal variation of the water quality is an essential aspect of evaluating
temporary changes in a water body caused by natural or artificial contributions. The study …

Experimental screening and molecular dynamics simulation study on wetting agent in dry suspension

M Feng, Y Tian, Y Zhang, C Yang, X Peng… - Journal of Drug Delivery …, 2024 - Elsevier
Suspension is the common preparation whose absorption rate is second only to the solution.
However, problems like the difficulty in screening excipients and the complicated screening …