Introduction: With the emergence of the 'big data'era, the biomedical research community
has great interest in exploiting publicly available chemical information for drug discovery …

Modern medicinal chemistry is a complex, multidimensional discipline that operates at the
interface of the chemical and biological sciences. The medicinal chemistry contribution to …

On the order of hundreds of absorption, distribution, metabolism, excretion, and toxicity
(ADME/Tox) models have been described in the literature in the past decade which are …

Ligand-and structure-based drug design approaches complement phenotypic and target
screens, respectively, and are the two major frameworks for guiding early-stage drug …

Estrogen-stimulating principles have been demonstrated to relieve postmenopausal
syndrome effectively. Gardenia jasminoides Ellis (GJE) is an herbal medicine possessing …

Developing realistic data sets for evaluating virtual screening methods is a task that has
been tackled by the cheminformatics community for many years. Numerous artificially …

Chemical biology and drug discovery are instrumental sciences to address unmet medical
needs and to gain a deeper understanding of normal and disease state biology in …

Drug design of protein kinase inhibitors is now greatly enabled by thousands of publicly
available X-ray structures, extensive ligand binding data, and optimized scaffolds coming off …

As a result of the enormous advances in molecular biology, recombinant technology, and
genomics over the past few decades, target-based drug discovery has become the dominant …

The first step for drug discovery and development is to choose a right or optimal strategy to
begin with. This is more so for rational design of multitarget drugs (MTDs). With the rapid …