VACCINE DESIGN : COMPUTATIONAL STUDY FOR STABILITY DETERMINATION OF CONJUGATE POLYSACCHARIDE TYPHOID – DIPHTHERIA TOXOID BASED ON QUANTUM MECHANIC THEORY

• Main Author: FAHLESA FATAHILAH (NIM : 10508016); Pembimbing : Muhamad Abdulkadir Martoprawiro, Ph.D , M.
• Format: Final Project
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/16434
• Institution: Institut Teknologi Bandung

Vaccine is the antigenic material used to produce active immunity against a disease that can prevent or reduce the effect of infection by natural organisms. Typhoid fever is a major cause of morbidity in the world with an estimated prevalence of between 16-30 million cases and cause 500,000 to 700,000 deaths per year. Efforts are needed to obtain the vaccine with a higher immunity against the virus of typhoid. Polysaccharide typhoid (Vi) is used as a conjugate <br /> <br /> <br /> <br /> <br /> <br /> <br /> vaccine to provide better durability immunity against typhoid virus. Computational chemistry methods allow to obtain the physico-chemical properties of molecules are modeled, so that it can be used to obtain the profile information of compounds and reactivity of molecules-in this case Vi-DT conjugate molecules. Stability determination of Vi-DT conjugate made with theory <br /> <br /> <br /> <br /> <br /> <br /> <br /> of quantum mechanics using NWCHEM. Three amino acids in a protein-diphteria typhoid is lysine, glutamic acid, aspartic acid and its binding energy is calculated by polysaccharide based on its ability to bind covalently. Another thing that counted among its stability is formilchloride with three amino acids to form a typhoid-diphteria toxoid. Of the three amino acids, lysine <br /> <br /> <br /> <br /> <br /> <br /> <br /> binds with formilchloride most stable, while the most stable glutamic acid binds to the polysaccharide.