Computational study on medicinally important antibiotics

Rajeshwar Rao Bojja

jul 2022 · Blue Rose Publishers

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Quantum chemistry uses the Schrödinger equation to predict properties of molecules and their course in chemical reactions. From the 1920 to 1960s, it handled the complicated mathematical equations of quantum mechanics for molecules. Now, it can solve complicated problems through computer technology. It also makes real-time calculations with new concepts and simplifications. Novel approaches will be needed in quantum chemistry to promote research field beyond a set of techniques available in computer programs for showing many pressing problems of humanity. Currently, it is available to everyone to use popular free chemistry software packages. First generate new ideas to explore and produce truly novel results with their capabilities. Since 1960, remarkable advances are observed in the development and availability of computers for making all-important contributions to the solutions of critical problems in chemistry. One of the most challenges in chemistry is the prediction of the folded structure of peptide and protein synthesis in different chemical environments. It is highly interdisciplinary field of research, linking biology and biochemistry fields, like analytical, inorganic, organic, medicinal, physical, pharmaceutical and theoretical chemistry.

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BOJJA RAJESHWAR RAO Senior Chemist (Retired, TSGENCO) H.No. 4-9-94/1, First floor, Kumarpally, Hanamakonda –506 001. Dist: WARANGAL, Telangana State, INDIA Date of Birth: 15th January, 1956. E-Mail [e-mail]: [e-mail]; [e-mail] Mobile No. 9493122294 Academic Qualifications:- Ph.D. Organic Chemistry, 1984, Awarded “ Studies in Heterocyclic Chemistry: : Studies on the synthesis of new types of 2-subsituted-mercaptooxazoles of Medicinal importance.” Kakatiya University, Warangal. (AP) (Formerly, Regional Engineering College, Warangal- 506004) National Institute of Technology, Warangal – 506 004 (AP). M.Sc. Chemistry (Industry Oriented), 72.7%, 1979. Kakatiya University, Warangal. (AP) (Formerly, Regional Engineering College, Warangal- 506004) National Institute of Technology, Warangal – 506 004 (AP). M.B.A. Financial Management, 1998. Dr. B R Ambedkar Open University, Hyderabad (AP) Work Experience:  Feb-2014 – update: Quantum Chemistry, Frontier Orbital Theory, HMO, Computational work, Prediction of Chemical Reactivity, protonation, zwitterions, Kinetics, Stability, Polarity, XRD, mass spectral study, Electronic structure & Conformational Analyses etc.,  1992- Jan-2014: Worked as Senior Chemist, Monitoring the Stack Emissions, Ambient air, Effluent Treatment Plant(ETP) and Noise pollution of Thermal Power Station as per Pollution Control Board Standards - Pre-treatment plant, Water Treatment Plant, Chlorination plant Cooling water system, - Analysis of Flue gas, Bottom ash, Fly ash and Coal etc., - Chemical conditioning of Boiler & Feed water to avoid scale and corrosion respectively - Testing of H2- purity in generator shell - at Kothagudem Thermal Power Station (O&M) Paloncha – 507 115 (AP) (1992 to 2010) and at Kakatiya Thermal Power Project (1 X 500MW), Chelpur – 506 170 Telangana State, TSGENCO Ltd (2010 to January-2014).  1990- 1992: Worked as Technical Field Officer, at Director General of Technical Development, Ministry of Industry, New Delhi.  1988 – 1989: Worked as Scientists’ Pool at Indian Institute of Petroleum, Dehradun, which is awarded by Council of Scientific, and Industrial Research, New Delhi (India). Research Experience: o 1990 – update: Quantum Chemistry:- • Computational work is under progress on the Application of Molecular Orbital methods to Organic Chemistry. HMO, Frontier Orbital Theory - Prediction of reactivity, protonation, zwitterions, Kinetics, Stabi