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The research group led by Asst. Prof. Soykan Agar, Ph.D. employs advanced computational medicinal chemistry and pharmaceutical engineering approaches to investigate complex biological systems.
The group’s interdisciplinary research activities focus on de novo ligand based drug design, elucidation of the molecular mechanisms underlying drug–protein, drug-DNA, drug-RNA interactions, and the development and optimization of rational drug design protocols. To achieve these objectives, the group integrates a wide range of computer-aided drug discovery (CADD) methodologies, including molecular docking, molecular dynamics (MD) simulations coupled with post-processing analyses, cheminformatics, de novo drug design, and ADME/Toxicity prediction studies.
In our studies with post-grad and undergrad assistant students from various background including dentistry, pharmacy and software engineering, we discuss new molecule and decipher candidates, research paper writing oriented topics and the assignments of new methodologies. Teams have team leads and on top of them there are senior post-grads who are skilled in the directing the teams day to day research ideas.
In addition, Dr. Agar develops artificial intelligence (AI)-based computational algorithms and programming frameworks to address diverse biological and pharmaceutical research problems.
For the publications, and/or further info, please check out the following links:
The group can test any ligand of interest (drug candidate molecule) for any kind of receptor (target molecule). The research center is partnered with European COST Action programs in oncological drug design and hence many collaborative studies occur within a wide network of EACR (European Association for Cancer Research).
With the international collaborations and academic friendships of Soykan Agar, in vitro and in vivo confirmations for the precise genetic and protein machinery suppressions are further studied by other research groups to confirm the in silico results.
Thus, using the organic chemistry, biochemistry, genetic engineering, pharmaceutical engineering and computational chemical-biology background of Dr. Agar combined with the supercomputers of this center, the center is able to work at any level of molecule and drug candidate design. Especially investigating the antineoplastic features of new molecule candidates are crucial for the research center.
Detailed literature search, ethical research paper writing, in silico simulations, in silico ADMET, educations and motivation meetings are frequently conducted in this center..
Soykan Agar was chosen the academician who publishes the most research papers throughout the University. He was awarded by both Chairman of Board of Trustees and University Rector in the annual ceremony.
