Breast cancer (BCa) is one of the most predominantly diagnosed cancers in women.
Notably, 70% of BCa diagnoses are Estrogen Receptor α positive (ERα+) making it a critical …

Drug repurposing is a strategy used to develop new treatments based on approved or
investigational drugs outside the scope of their original clinical indication. Since this …

We describe here our tool named PyPLIF HIPPOS, which was newly developed to analyze
the docking results of AutoDock Vina and PLANTS. Its predecessor, PyPLIF (https://github …

As fermented soybean (Glycine max), tempeh has been reported as a good source of
isoflavones, which have shown anticancer activities in various cancer cells resulted from …

Introduction: Cancer refers to a group of diseases characterized by the uncontrolled growth
and spread of abnormal cells in the body. Due to its complexity, it has been hard to find an …

Objective: The objective of this study is to Construct predictive unbiased structure-based
virtual screening (SBVS) protocols to identify potent ligands for estrogen receptor alpha by …

One of well-established biological activities for chalcone derivatives is as
acetylcholinesterase inhibitors, which can be developed for the therapy of Alzheimer's …

Identification of molecular determinants of receptor-ligand binding could significantly
increase the quality of structure-based virtual screening protocols. In turn, drug design …

The Acceleration of COVID-19 research in Proteomics and Transcriptomics studies occurred
swiftly due to the massive amount of investment and advances in biomanufacturing [1, 2] …

Abstract Employing ensemble Protein-Ligand Interaction Fingerprints (ensPLIF) as
descriptors in post retrospective Structure-Based Virtual Screening (SBVS) campaigns …