Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …

Traditional drug design requires a great amount of research time and developmental
expense. Booming computational approaches, including computational biology, computer …

In this work, the organic material4-Phenylpiperazine-1-ium dihydrogen phosphate (4PPHP)
has been characterized by 13 C and 31 P nuclear magnetic resonance (NMR) spectra, UV …

In this work, the new organic-inorganic hybrid material 1-Phenylpiperazine-1, 4-diium bis
(hydrogen sulfate)(1-PPHS) have been investigated. Experimental and theoretical studies of …

A series of pyrazole derivatives 4, 5, 6, 12, 13, 14 as well as hydrazone derivatives 7, 10, 11
were synthesized starting from adamantane-1-carbohydrazide as the bioactive core. All …

Globally, malignancies cause one out of six mortalities, which is a serious health problem.
Cancer therapy has always been challenging, apart from major advances in …

Virtual screening (VS) is a computational approach used to screen a large number of
database molecules to identify leads. It decreases both the time and resources required to …

Some new pyridinethione and thienopyridine derivatives have been synthesized and
evaluated for their antiproliferative activity using the MTT assay. Nicotinamide derivatives 3 …

The cyclin-dependent kinase 7 (CDK7) plays a crucial role in regulating the cell cycle and
RNA polymerase-based transcription. Overexpression of this kinase is linked with various …