Mechanistic inhibition of gastric cancer-associated bacteria Helicobacter pylori by selected phytocompounds: A new cutting-edge computational approach

S Akash, I Bayıl, S Mahmood, N Mukerjee, TA Mili… - Heliyon, 2023 - cell.com
Background Helicobacter pylori (H. pylori) is a persistent bacterial inhabitant in the stomachs
of approximately half the global populace. This bacterium is directly linked to chronic …

Anti-viral drug discovery against monkeypox and smallpox infection by natural curcumin derivatives: A Computational drug design approach

S Akash, A Hossain, MS Hossain… - Frontiers in Cellular …, 2023 - frontiersin.org
Background In the last couple of years, viral infections have been leading the globe,
considered one of the most widespread and extremely damaging health problems and one …

Assessing the efficacy of cinnamon compounds against H. pylori through molecular docking, MD Simulations and ADMET analyses

MF Sarwar, A Zahra, MF Awan, S Ali, M Shafiq… - Plos one, 2024 - journals.plos.org
Antibiotics are the drugs that are used for the management of microbial diseases. However,
these conventional synthetic drugs can harmfully affect the human health. Since …

New quinoxaline-oxadiazole hybrids as tubulin inhibitors: Synthesis, cytotoxicity, and molecular dynamics simulations

BR Vancha, M Sreeshitha, KP Vasikarla… - Journal of Molecular …, 2025 - Elsevier
This study describes the synthesis and biological evaluation of a series of novel quinoxaline-
oxadiazole hybrid compounds. These compounds were designed to enhance anticancer …

Bioinformatic investigation of Nipah virus surface protein mutations: Molecular docking with Ephrin B2 receptor, molecular dynamics simulation, and structural impact …

E Aktaş, İ Saygılı, E Kahveci, Z Tekbıyık… - Microbiology and …, 2023 - Wiley Online Library
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 …

Identification of significant hub genes and pathways associated with metastatic breast cancer and tolerogenic dendritic cell via bioinformatics analysis

KWC Ching, NF Mokhtar, GJ Tye - Computers in Biology and Medicine, 2025 - Elsevier
Metastatic breast cancer (MBC) is an advanced-stage breast cancer associated with more
than 90% of cancer-related deaths. Immunosuppressive properties of tolerogenic dendritic …

An Integrated Approach to Develop a Potent Vaccine Candidate Construct Against Prostate Cancer by Utilizing Machine Learning and Bioinformatics

A Albutti - Cancer Reports, 2024 - Wiley Online Library
Background Prostate cancer is the most common malignancy among males. Prostaglandin
G/H synthase (PGHS) is an essential enzyme in the synthesis of prostaglandins, and its …

Molecular insights into β-Galactosidase enzyme for its potential application in food industry

S Thatikonda, SD Battula, V Syed, K Rasineni… - Journal of the Indian …, 2024 - Elsevier
Abstract β-galactosidase generally catalyzes the hydrolysis of β-d-galactosides and α-L-
arabinosides. β-galactosidases are well known for its wide range of applications in food …

[HTML][HTML] Identification of potential biomarkers for bone metastasis using human cancer metastasis database

M Bhardwaj, T Sri, S Krupanidhi… - International Journal of …, 2024 - ncbi.nlm.nih.gov
Objective: Information theory has been successfully employed to identify optimal pathway
networks, mutual information (MI), and entropy as a dynamic response in statistical methods …

Nanoproteomics: An Approach for the Identification of Molecular Targets Associated with Hypoxia

J Deepa Arul Priya, S Malik, M Khalid… - Smart Nanomaterials …, 2023 - Springer
A thorough examination of every protein's array in the human proteome is necessary to
understand the causes, pathophysiology, and possible treatment targets of any disease or …