As structural genomics (SG) projects continue to deposit representative 3D structures of
proteins, homology modeling methods will play an increasing role in structure-based drug …

Major goal of structural biology involve formation of protein-ligand complexes; in which the
protein molecules act energetically in the course of binding. Therefore, perceptive of protein …

In 1998, Bikker, Trumpp-Kallmeyer, and Humblet published a Perspective in this journal
entitled “G-Protein Coupled Receptors: Models, Mutagenesis and Drug Design” and …

This review provides detailed methods for the synthesis, structures and chemical properties
of hydrazones bearing carboxamide, thioamide and amidine functions. The main accent was …

A pair of chemical isomeric structures of N-acylhydrazone compounds I and II were
designed and synthesized. The reaction was carried out with high diastereoselectivity to …

Abstract Structure-based virtual screening is currently an established tool in drug lead
discovery projects. Although in the last years the field saw an impressive progress in terms …

In this article, a synthesis of N'-(benzylidene)-2-(6-methyl-1 H-pyrazolo [3, 4-b] quinolin-1-yl)
acetohydrazides and their structural interpretation by NMR experiments is described in an …

The main contributions of our group during the last 15 years developing and using
biomolecular simulation tools in drug lead discovery and design, in close collaboration with …

Herein we describe NMR experiments and structural modifications of 4-methyl-2-
phenylpyrimidine-N-acylhydrazone compounds (aryl-NAH) in order to discover if duplication …

Background: In the current situation of weak drug pipelines, impending patent expiration of
several blockbuster drugs, industry consolidation and changing business models that target …