The role of the medicinal chemistry in drug discovery industry has undergone
major changes in the past two decades, due to the development of new technologies
such as combinatorial chemistry, computational biology and chemisty [1-3]. Over
the years, tremendous research has carried out towards the designing new chemical
entities for various therapeutic areas using recent technologies such as combinatorial
chemistry and virtual screening approaches. In current issue of “Current Topics in
Medicinal Chemistry (CTMC)”, we focused on the literature review on potential
therapeutic targets, and virtual screening strategies towards the design and discovery
of new chemical entities in entitled the special topic with “Medicinal chemistry update
and discovery strategies on potential therapeutic targets”. Articles in this special
issue have been contributed by experts from many parts of the world.
In first article, Drs. Rahul and Se Won Park covered extensive step-by-step summary of anti-HIV
breakthroughs of triterpene acid analogues and their derivatives with synthetic and activity aspects, featuring
fertile clues for novel anti-HIV drug design, which helps to develop unprecedented opportunities to
discover the next-generation anti-HIV armamentarium.
In second article, Drs. Riyaz and Ahmed Kamal has covered a brief review on tankyrase inhibitors and
its structure activity relationships (SAR).
In the next article, Drs. Siddharth Malik & Suneel has covered list of small molecule inhibitors targeting anthrax lethal factor
activity and its structure-activity relationships (SAR).
In the another article, Drs. Shalini & Sriram has discussed about most of potent series of DNA gyrase inhibitors & its
structure activity relationships (SAR). The current manuscript also reports the current research on identification of potent DNA
gyrase inhibitors using ligand based virtual screening approaches.
In next article, Drs. Raghu & Vijaya Lakshmi has covered an overview to the available crystal complexes of Aurora Kinases
and their co-crystal interactions and also quantified with glide-extra precision (XP) docking. Also covers identification of potential
leads against aurora kinase using various rational methods of drug discovery.
In the next article, Drs. Singh & Sarma has describes an overview on clinical candidates of PARP1 and its current status in
clinical trials and also discussed about recent study on identification of potent PARP1 inhibitors using structure and ligand
based pharmacophore models.
In the last article, Drs. Suneel & Sarma has discussed about recent study on identification of potent FGFR1 inhibitors using
ligand based virtual screening approach.