Thème :
Synthesis, characterization, in silico, and in vitro study of new biomolecules
Présentation :
Our research is focused on the following areas:
In silico studies: We employ molecular docking, molecular dynamics, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) simulations to optimize the physicochemical and pharmacokinetic properties of potential drug candidates. This helps us identify the most biologically active molecules that target our specific goal.
Development of eco-friendly synthesis methods: We utilize solvent-free synthesis techniques and explore alternative activation methods such as ultrasound or microwave irradiation to design environmentally sustainable processes for synthesizing our compounds [ref].
Synthesis of nitrogen and sulfur heterocycles: Our work involves the synthesis of heterocyclic compounds such as benzothiadiazinone dioxide, quinoline, and cyclo-urea. These compounds serve as analogues of existing anticancer drugs, aiming to improve their efficacy and reduce side effects [ref].
Characterization using spectroscopic methods: We employ various spectroscopic techniques, including infrared spectroscopy (IR), nuclear magnetic resonance (NMR), and mass spectrometry, to analyze and confirm the structure and purity of the synthesized compounds.
Biological evaluation of synthesized compounds: We assess the biological activity of the synthesized compounds by conducting tests on enzymes and cancer cells. This evaluation helps us determine their potential as therapeutic agents in combating cancer.