Electrochemical Determination of Tyrosine and Tryptophan at the Surface of Pyrolytic Graphite Electrode Modified with Multi-Walled Carbon Nanotubes, New Coccine and Nitrazine

, M.Sc. Thesis Sharif University of Technology Ebrahimi, Shiva (Author) ; Shahrokhian, Saeed (Supervisor)

Abstract

At the first part of this thesis, a pyrolitic graphite electrode (PGE) modified with new coccine/multi-walled carbon nanotubes film (NC/MWCNT) was applied as a sensitive electrochemical sensor for determination and study of electrochemical behavior of tyrosine (Tyr) in aqueous solutions. The results showed that NC/MWCNT caused a remarkable increase in the peak current so the NC/MWCNT/PGE electrode surface was far more sensitive to the concentration of Tyr than the PGE surface. The determination of Tyr was investigated by linear sweep voltammetry (LSV). Experimental parameters, such as scan rate, pH and amount of the modifier used on the PGE surface were optimized by monitoring the LSV...

Computational Design of Novel Medicines as Inhibitors in Case of Cancer and Autoimmune Disease Treatment Based on Amino Acid and Sugar

, M.Sc. Thesis Sharif University of Technology Feghhi, Razieh (Author) ; Fattahi, Alireza (Supervisor)

Abstract

SHP2 has been reported as a critical non-receptor phosphatase enzyme that plays crucial roles in numerous disorders like cancer. The previous studies on this enzyme showed that inhibiting the action of the enzyme comes as a way of controlling enzyme activity. SHP099 was discovered as an Allosteric inhibitor of the enzyme with the most inhibitory effect among all of the studied compounds. In this study we aimed to design novel dipeptide-and sugar-based inhibitors for the allosteric binding site of this enzyme with in-silico studies including docking, molecular dynamic simulation, and free binding energy analysis. Our novel designed drugs possess enough binding properties, low toxicity, and...

Design of Novel Drugs Based on Tyrosine and Phenylalanine Amino Acids to Inhibit Cyclin-Dependent Kinases 2 (CDK2) Proteins Modeled on Flavopiridol Drug

, M.Sc. Thesis Sharif University of Technology Aghili, Farshad (Author) ; Fattahi, Alireza (Supervisor)

Abstract

Cyclin-dependent kinases 2 (CDK2) are one of the important proteins in cell cycle regulation and progression. In many human cancer cells, the activity of CDK2 kinases and their related subunits are deregulated, leading to tumor formation. Therefore, inhibition of this enzyme as an attractive therapeutic target can cause cancer cell death in glioblastoma and diffuse large B-cell lymphoma. Using new pharmaceutical structures based on sugar and amino acids is a new approach due to its greater efficacy and fewer side effects than old drugs. In this research, according to the structure of Flavopiridol as one of the CDK2 inhibitors, the active site of CDK2, and the structure of ATP molecule, 50...

Designing a Novel Ros1 Enzyme Inhibitor Based on Crizotinib Drug for the Treatment of Nsclc by Computational Methods

, M.Sc. Thesis Sharif University of Technology Maleki, Mohammad Javad (Author) ; Fattahi, Alireza (Supervisor)

Abstract

Protein activities are modulated by Kinases through phosphate group transfers, regulating cellular functions. Mutations in kinases are related to cancer initiation, progression, and recurrence. Kinase inhibitors such as Crizotinib have demonstrated efficacy against specific cancers, but limitations and adverse effects necessitate the invention and discovery of novel and potent inhibitors. This study employs Computer-Aided Drug Design techniques to develop natural-based structures targeting the ROS1 Kinase Domain. Molecular fingerprints, Molecular Dynamics Simulations, Docking, and Quantum Calculations are utilized for virtual screening and structure evaluations. A compound library is...