Traditionally, drug development involved the individual synthesis and biological evaluation
of hundreds to thousands of compounds with the intention of highlighting their biological …

Ion channels play a crucial role in a variety of physiological and pathological processes,
making them attractive targets for drug development in diseases such as diabetes, epilepsy …

A new series of spirochromone annulated chalcone conjugates were synthesized and
evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain …

Gastric cancer poses a significant global health challenge, necessitating innovative
approaches for biomarker discovery and therapeutic intervention. This study employs a …

The ligand-based virtual screening of combinatorial libraries employs a number of statistical
modeling and machine learning methods. A comprehensive analysis of the application of …

Advancement in chemoinformatics research in parallel with availability of high performance
computing platform has made handling of large scale multi-dimensional scientific data for …

Background: Several medicinal plants are being used in Indian medicine systems from
ancient times. However, in most cases, the specific molecules or the active ingredients …

The manuscript describes WarpEngine, a novel platform implemented within the VEGA ZZ
suite of software for performing distributed simulations both in local and wide area networks …

Virtual screening is an indispensable tool to cope with the massive amount of data being
tossed by the high throughput omics technologies. With the objective of enhancing the …

Secondary metabolites produced by plants are valuable for their essential roles in food,
medicine, and agrochemicals. Several of them have positive effects on health, such as …