Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Rajesh Maharjan
Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Kalpana Gyawali
Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Kamal Khanal
Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Mohan Bahadur Kshetri
Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Bhoj Raj Luitel
Department of Urology and Kidney Transplant Surgery, Tribhuvan University , Teaching Hospital, Institute of Medicine, Maharajgung, Kathmandu 44600,Nepal
Rameshwar Adhikari
Central Department of Chemistry, Tribhuvan University, Kathmandu 44600, Nepal
Deependra Das Mulmi
Nanomaterials Research Laboratory, Nepal Academy of Science and Technology, Lalitpur 44700, Nepal
Tika Ram Lamichhane
Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Hari Prasad Lamichhane
Central Department of Physics, Tribhuvan University, Kathmandu 44600, Nepal
Kidney stone is an alarming global disease due to its rising incidence and prevalence. FTIR spectroscopic analysis reveals that calcium oxalate is one of the most frequent chemical constituents in kidney stones. DFT calculations indicate that the calcium oxalate can interact through charge transfer process in biological activities. Among various proteins, lysozyme is one of the promoter proteins in nephrolithiasis of calcium oxalate type kidney stone. The location, conformation and interactions of calcium oxalate with the active residues of lysozyme contribute the binding energy of -4.18 kcal/mol. The characterization of kidney stones, DFT calculations of calcium oxalate, and binding interactions of calcium oxalate-lysozyme complex contribute to the understanding of nephrolithiasis.
