Promising inhibitors of main protease of novel corona virus to prevent the spread of COVID-19 using docking and molecular dynamics simulation

References

• Agarwal, A., Nagi, N., Chatterjee, P., Sarkar, S., Mourya, D., Sahay, R., & Bhatia, R. (2020). Guidance for building a dedicated health facility to contain the spread of the 2019 novel coronavirus outbreak. Indian Journal of Medical Research. https://doi.org/10.4103/ijmr.IJMR_518_20
   Google Scholar
• Agarwal, G., Gupta, S., Gabrani, R., Gupta, A., Chaudhary, V. K., & Gupta, V. (2019). Virtual screening of inhibitors against envelope glycoprotein of Chikungunya Virus: A drug repositioning approach. Bioinformation, 15(6), 439–447. https://doi.org/10.6026/97320630015439
   PubMed Web of Science ®Google Scholar
• Ahmed, S. F., Quadeer, A. A., & McKay, M. R. (2020). Preliminary identification of potential vaccine targets for the COVID-19 coronavirus (SARS-CoV-2) based on SARS-CoV immunological studies. Viruses, 12(3), 254. https://doi.org/10.3390/v12030254
   PubMed Web of Science ®Google Scholar
• Ai, T., Yang, Z., Hou, H., Zhan, C., Chen, C., & Lv, W. (2020). Correlation of chest CT and RT-PCR testing in coronavirus disease 2019 (COVID-19) in China: A report of 1014 cases. Radiology, 1–23. https://doi.org/10.1148/radiol.2020200642
   Google Scholar
• Akhmadiev, N. S., Galimova, A. M., Akhmetova, V. R., Khairullina, V. R., Galimova, R. A., Agletdinov, E. F., Ibragimov, A. G., & Kataev, V. A. (2019). Molecular docking and preclinical study of five-membered S,S-palladaheterocycle as hepatoprotective agent. Advanced Pharmaceutical Bulletin, 9(4), 674–684. https://doi.org/10.15171/apb.2019.079
   PubMed Web of Science ®Google Scholar
• Al-Anazi, M., Al-Najjar, B. O., & Khairuddean, M. (2018). Structure-based drug design studies toward the discovery of novel chalcone derivatives as potential epidermal growth factor receptor (EGFR) inhibitors. Molecules, 23(12), 3203. https://doi.org/10.3390/molecules23123203
   PubMed Web of Science ®Google Scholar
• Al-Refaei, M. A., Makki, R. M., & Ali, H. M. (2020). Structure prediction of transferrin receptor protein 1 (TfR1) by homology modelling, docking, and molecular dynamics simulation studies. Heliyon, 6(1), e03221. https://doi.org/10.1016/j.heliyon.2020.e03221
   PubMed Web of Science ®Google Scholar
• Almazan, F., Galan, C., & Enjuanes, L. (2004). The nucleoprotein is required for efficient coronavirus genome replication. Journal of Virology, 78(22), 12683–12688. https://doi.org/10.1128/JVI.78.22.12683-12688.2004
   PubMed Web of Science ®Google Scholar
• Arshad Ali, S., Baloch, M., Ahmed, N., Arshad Ali, A., & Iqbal, A. (2020). The outbreak of coronavirus disease 2019 (COVID-19) – An emerging global health threat. Journal of Infection and Public Health, 13(4), 644–646. https://doi.org/10.1016/j.jiph.2020.02.033
   PubMed Web of Science ®Google Scholar
• Babadaei, M. M. N., Hasan, A., Vahdani, Y., Bloukh, S. H., Sharifi, M., & Kachooei, E. (2020). Development of remdesivir repositioning as a nucleotide analog against COVID-19 RNA dependent RNA polymerase. Journal of Biomolecular Structure and Dynamics, 1–9. https://doi.org/10.1080/07391102.2020.1767210
   Web of Science ®Google Scholar
• Bai, J., Ma, X., & Sun, X. (2020). Investigation on the interaction of food colorant Sudan III with bovine serum albumin using spectroscopic and molecular docking methods. The Journal of Environmental Science and Health, Part A, Toxic/Hazardous Substances and Environmental Engineering, 55, 1–8. https://doi.org/10.1080/10934529.2020.1729616
   PubMed Web of Science ®Google Scholar
• Balaji, B., & Ramanathan, M. (2012). Prediction of estrogen receptor β ligands potency and selectivity by docking and MM-GBSA scoring methods using three different scaffolds . Journal of Enzyme Inhibition and Medicinal Chemistry, 27(6), 832–844. https://doi.org/10.3109/14756366.2011.618990
   PubMed Web of Science ®Google Scholar
• Balasubramanian, P. K., Balupuri, A., Bhujbal, S. P., & Cho, S. J. (2019). 3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation. Journal of Biomolecular Structure & Dynamics, 37(8), 2165–2178. https://doi.org/10.1080/07391102.2018.1479309
   PubMed Web of Science ®Google Scholar
• Basit, A., Ali, T., & Rehman, S. U. (2020). Truncated human angiotensin converting enzyme 2; A potential inhibitor of SARS-CoV-2 spike glycoprotein and potent COVID-19 therapeutic agent. Journal of Biomolecular Structure and Dynamics, 1–10. https://doi.org/10.1080/07391102.2020.1768150
   Web of Science ®Google Scholar
• Bea, I., Gotsev, M. G., Ivanov, P. M., Jaime, C., & Kollman, P. A. (2006). Chelate effect in cyclodextrin dimers: A computational (MD, MM/PBSA, and MM/GBSA) study. The Journal of Organic Chemistry, 71(5), 2056–2063. https://doi.org/10.1021/jo052469o
   PubMed Web of Science ®Google Scholar
• Berkhout, B., & van Hemert, F. (2015). On the biased nucleotide composition of the human coronavirus RNA genome. Virus Research, 202, 41–47. https://doi.org/10.1016/j.virusres.2014.11.031
   PubMed Web of Science ®Google Scholar
• Beura, S., & Prabhakar, C. (2020). In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics, 1–25. https://doi.org/10.1080/07391102.2020.1772111
   Google Scholar
• Bhardwaj, V. K., Singh, R., Sharma, J., Rajendran, V., Purohit, R., & Kumar, S. (2020). Identification of bioactive molecules from Tea plant as SARS-CoV-2 main protease inhibitors. Journal of Biomolecular Structure and Dynamics, 1–13. https://doi.org/10.1080/07391102.2020.1766572
   Google Scholar
• Boldog, P., Tekeli, T., Vizi, Z., Denes, A., Bartha, F. A., & Rost, G. (2020). Risk assessment of novel coronavirus COVID-19 outbreaks outside China. Journal of Clinical Medicine, 9(2), 1–12. https://doi.org/10.3390/jcm9020571
   Google Scholar
• Boopathi, S., Poma, A. B., & Kolandaivel, P. (2020). Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment. Journal of Biomolecular Structure and Dynamics, 1–14. https://doi.org/10.1080/07391102.2020.1758788
   Web of Science ®Google Scholar
• Borkotoky, S., & Banerjee, M. (2020). A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem). Journal of Biomolecular Structure and Dynamics, 1–17. https://doi.org/10.1080/07391102.2020.1774419
   Google Scholar
• Boursnell, M. E., Brown, T. D., Foulds, I. J., Green, P. F., Tomley, F. M., & Binns, M. M. (1987). Completion of the sequence of the genome of the coronavirus avian infectious bronchitis virus. Journal of General Virology., 68(1), 57–77. https://doi.org/10.1099/0022-1317-68-1-57
   PubMed Web of Science ®Google Scholar
• Burley, S. K., Berman, H. M., Christie, C., Duarte, J. M., Feng, Z., Westbrook, J., Young, J., & Zardecki, C. (2018). RCSB protein data bank: Sustaining a living digital data resource that enables breakthroughs in scientific research and biomedical education. Protein Science: A Publication of the Protein Society, 27(1), 316–330. https://doi.org/10.1002/pro.3331
   PubMed Web of Science ®Google Scholar
• Cai, X., Gao, C., Su, B., Tan, F., Yang, N., & Wang, G. (2018). Expression profiling and microbial ligand binding analysis of high-mobility group box-1 (HMGB1) in turbot (Scophthalmus maximus L.). Fish & Shellfish Immunology, 78, 100–108. https://doi.org/10.1016/j.fsi.2018.04.025
   PubMed Web of Science ®Google Scholar
• Cob-Calan, N. N., Chi-Uluac, L. A., Ortiz-Chi, F., Cerqueda-García, D., Navarrete-Vázquez, G., Ruiz-Sánchez, E., & Hernández-Núñez, E. (2019). Molecular docking and dynamics simulation of protein beta-tubulin and antifungal cyclic lipopeptides. Molecules, 24(18), 3387. https://doi.org/10.3390/molecules24183387
   Web of Science ®Google Scholar
• Cummins, P. L., Kannappan, B., & Gready, J. E. (2019). Ab initio molecular dynamics simulation and energetics of the ribulose-1,5-biphosphate carboxylation reaction catalyzed by Rubisco: Toward elucidating the stereospecific protonation mechanism. The Journal of Physical Chemistry. B, 123(12), 2679–2686. https://doi.org/10.1021/acs.jpcb.8b12088
   PubMed Web of Science ®Google Scholar
• Du, J., Sun, H., Xi, L., Li, J., Yang, Y., Liu, H., & Yao, X. (2011). Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation. Journal of Computational Chemistry, 32(13), 2800–2809. https://doi.org/10.1002/jcc.21859
   PubMed Web of Science ®Google Scholar
• Duan, L., & Zhu, G. (2020). Psychological interventions for people affected by the COVID-19 epidemic. The Lancet Psychiatry, 7(4), 300–302. https://doi.org/10.1016/S2215-0366(20)30073-0
   PubMed Web of Science ®Google Scholar
• Elfiky, A. A. (2020a). Natural products may interfere with SARS-CoV-2 attachment to the host cell. Journal of Biomolecular Structure and Dynamics, 1–16. https://doi.org/10.21203/rs.3.rs-22458/v1
   Google Scholar
• Elfiky, A. A. (2020b). SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: An in silico perspective. Journal of Biomolecular Structure and Dynamics, 1–15. https://doi.org/10.1080/07391102.2020.1761882
   Web of Science ®Google Scholar
• Elfiky, A. A., & Azzam, E. B. (2020). Novel guanosine derivatives against MERS CoV polymerase: An in silico perspective. Journal of Biomolecular Structure and Dynamics, 1–12. https://doi.org/10.1080/07391102.2020.1758789
   Google Scholar
• Elmezayen, A. D., Al-Obaidi, A., Şahin, A. T., & Yelekçi, K. (2020). Drug repurposing for coronavirus (COVID-19): In silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes. Journal of Biomolecular Structure and Dynamics, 1–12. https://doi.org/10.1080/07391102.2020.1758791
   Web of Science ®Google Scholar
• Enmozhi, S. K., Raja, K., Sebastine, I., & Joseph, J. (2020). Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: An in silico approach. Journal of Biomolecular Structure and Dynamics, 1–10. https://doi.org/10.1080/07391102.2020.1760136
   Google Scholar
• Genheden, S., Kuhn, O., Mikulskis, P., Hoffmann, D., & Ryde, U. (2012). The normal-mode entropy in the MM/GBSA method: Effect of system truncation, buffer region, and dielectric constant. Journal of Chemical Information and Modeling, 52(8), 2079–2088. https://doi.org/10.1021/ci3001919
   PubMed Web of Science ®Google Scholar
• Greenidge, P. A., Kramer, C., Mozziconacci, J. C., & Sherman, W. (2014). Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA. Journal of Chemical Information and Modeling, 54(10), 2697–2717. https://doi.org/10.1021/ci5003735
   PubMed Web of Science ®Google Scholar
• Greenidge, P. A., Lewis, R. A., & Ertl, P. (2016). Boosting pose ranking performance via rescoring with MM-GBSA. Chemical Biology & Drug Design, 88(3), 317–328. https://doi.org/10.1111/cbdd.12763
   PubMed Web of Science ®Google Scholar
• Gupta, A., Gandhimathi, A., Sharma, P., & Jayaram, B. (2007). ParDOCK: An all atom energy based Monte Carlo docking protocol for protein–ligand complexes. Protein and Peptide Letters, 14(7), 632–646. https://doi.org/10.2174/092986607781483831
   PubMed Web of Science ®Google Scholar
• Jagannadh, B., Kunwar, A. C., Thangavelu, R. P., & Osawa, E. (1996). New technique for conformational sampling of cyclic molecules using the AMBER force field: Application to 18-crown-6. The Journal of Physical Chemistry, 100(34), 14339–14342. https://doi.org/10.1021/jp960929z
   Web of Science ®Google Scholar
• Ji, T., Chen, H. L., Xu, J., Wu, L. N., Li, J. J., & Chen, K. (2020). Lockdown contained the spread of 2019 novel coronavirus disease in Huangshi city, China: Early epidemiological findings. Clinical Infectious Diseases, 1–17. https://doi.org/10.1093/cid/ciaa390
   Google Scholar
• Kirby, M. E., Simperler, A., Krevor, S., Weiss, D. J., & Sonnenberg, J. L. (2018). Computational tools for calculating log β values of geochemically relevant uranium organometallic complexes. The Journal of Physical Chemistry. A, 122(40), 8007–8019. https://doi.org/10.1021/acs.jpca.8b06863
   PubMed Web of Science ®Google Scholar
• Kumar, D., Kumari, K., Jayaraj, A., & Singh, P. (2019). Development of a theoretical model for the inhibition of nsP3 protease of Chikungunya virus using pyranooxazoles. Journal of Biomolecular Structure and Dynamics, 1–17. https://doi.org/10.1080/07391102.2019.1650830
   Google Scholar
• Kumar, D., Singh, P., Jayaraj, A., Kumar, V., Kumari, K., & Patel, R. (2019). A theoretical model to study the interaction of Erythro-Noscapines with nsP3 protease of Chikungunya Virus. ChemistrySelect, 4(17), 4892–4900. https://doi.org/10.1002/slct.201803360
   Web of Science ®Google Scholar
• Kumari, K., Vishvakarma, V. K., Singh, P., Patel, R., & Chandra, R. (2017). Microwave: An important and efficient tool for the synthesis of biological potent organic compounds. Current Medicinal Chemistry, 24(41), 4579–4595. https://doi.org/10.2174/0929867324666170529100929
   PubMed Web of Science ®Google Scholar
• Kumari, M., Maurya, J. K., Singh, U. K., Khan, A. B., Ali, M., Singh, P., & Patel, R. (2014). Spectroscopic and docking studies on the interaction between pyrrolidinium based ionic liquid and bovine serum albumin. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 124, 349–356. https://doi.org/10.1016/j.saa.2014.01.012
   PubMed Web of Science ®Google Scholar
• Lai, C. C., Shih, T. P., Ko, W. C., Tang, H. J., & Hsueh, P. R. (2020). Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and coronavirus disease-2019 (COVID-19): The epidemic and the challenges. International Journal of Antimicrobial Agents, 55(3), 105924. https://doi.org/10.1016/j.ijantimicag.2020.105924
   PubMed Web of Science ®Google Scholar
• Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2012). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews, 64, 4–17. https://doi.org/10.1016/S0169-409X(96)00423-1 https://doi.org/10.1016/j.addr.2012.09.019
   Web of Science ®Google Scholar
• Lohidakshan, K., Rajan, M., Ganesh, A., Paul, M., & Jerin, J. (2018). Pass and Swiss ADME collaborated in silico docking approach to the synthesis of certain pyrazoline spacer compounds for dihydrofolate reductase inhibition and antimalarial activity. Bangladesh Journal of Pharmacology, 13(1), 23–29. https://doi.org/10.3329/bjp.v13i1.33625
   Web of Science ®Google Scholar
• Madhavaram, M., Nampally, V., Gangadhari, S., Palnati, M. K., & Tigulla, P. (2019). High-throughput virtual screening, ADME analysis, and estimation of MM/GBSA binding-free energies of azoles as potential inhibitors of Mycobacterium tuberculosis H37Rv. Journal of Receptor and Signal Transduction Research, 39(4), 312–320. https://doi.org/10.1080/10799893.2019.1660895
   PubMed Web of Science ®Google Scholar
• Mitra, S., Das, A., Ghosh, D., & Sengupta, A. (2019). Postoperative systemic acyclovir in Juvenile-onset recurrent respiratory papillomatosis: The outcome. Ear, Nose, & Throat Journal, 98(1), 28–31. https://doi.org/10.1177/0145561318823311
   PubMed Web of Science ®Google Scholar
• Morris, K. F., Geoghegan, R. M., Palmer, E. E., George, M., Jr., & Fang, Y. (2020). Molecular dynamics simulation study of AG10 and tafamidis binding to the Val122Ile transthyretin variant. Biochemistry and Biophysics Reports, 21, 100721. https://doi.org/10.1016/j.bbrep.2019.100721
   PubMedGoogle Scholar
• Mukherjee, G., & Jayaram, B. (2013). A rapid identification of hit molecules for target proteins via physico-chemical descriptors. Physical Chemistry Chemical Physics: PCCP, 15(23), 9107–9116. https://doi.org/10.1039/c3cp44697b
   PubMed Web of Science ®Google Scholar
• Muralidharan, N., Sakthivel, R., Velmurugan, D., & Gromiha, M. M. (2020). Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19. Journal of Biomolecular Structure and Dynamics, 1–6. https://doi.org/10.1080/07391102.2020.1752802
   Web of Science ®Google Scholar
• Naz, S., Farooq, U., Khan, S., Sarwar, R., Mabkhot, Y. N., & Saeed, M. (2020). Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against alpha-tryptophan synthase from Mycobacterium tuberculosis. Journal of Biomolecular Structure and Dynamics, 1–11. https://doi.org/10.1080/07391102.2020.1715259
   Google Scholar
• Nazarian, S. M., Shaon, K. Y., Schwankhaus, J. D., Chacko, J. G., Hudgins, P. A., & Brat, D. J. (2015). Bilateral optic neuropathy after erythematous rash. Bilateral anterior optic neuropathy due to RMSF. Journal of Neuro-Ophthalmology: The Official Journal of the North American Neuro-Ophthalmology Society, 35(2), 201–204. https://collections.lib.utah.edu/ark:/87278/s66b08p3 https://doi.org/10.1097/WNO.0000000000000261
   PubMed Web of Science ®Google Scholar
• Pettersen, E. F., Goddard, T. D., Huang, C. C., Couch, G. S., Greenblatt, D. M., Meng, E. C., & Ferrin, T. E. (2004). UCSF Chimera – a visualization system for exploratory research and analysis. Journal of Computational Chemistry, 25(13), 1605–1612. https://doi.org/10.1002/jcc.20084
   PubMed Web of Science ®Google Scholar
• Pola, M., Rajulapati, S. B., Potla Durthi, C., Erva, R. R., & Bhatia, M. (2018). In silico modelling and molecular dynamics simulation studies on L-Asparaginase isolated from bacterial endophyte of Ocimum tenuiflorum. Enzyme and Microbial Technology, 117, 32–40. https://doi.org/10.1016/j.enzmictec.2018.06.005
   PubMed Web of Science ®Google Scholar
• Purohit, R. (2014). Role of ELA region in auto-activation of mutant KIT receptor: A molecular dynamics simulation insight. Journal of Biomolecular Structure & Dynamics, 32(7), 1033–1046. https://doi.org/10.1080/07391102.2013.803264
   PubMed Web of Science ®Google Scholar
• Rajendran, V., Gopalakrishnan, C., & Sethumadhavan, R. (2018). Pathological role of a point mutation (T315I) in BCR-ABL1 protein –A computational insight. Journal of Cellular Biochemistry, 119(1), 918–925. https://doi.org/10.1002/jcb.26257
   PubMed Web of Science ®Google Scholar
• Roe, D. R., & Cheatham, T. E., 3rd. (2013). PTRAJ and CPPTRAJ: Software for processing and analysis of molecular dynamics trajectory data. Journal of Chemical Theory and Computation, 9(7), 3084–3095. https://doi.org/10.1021/ct400341p
   PubMed Web of Science ®Google Scholar
• Roe, D. R., & Cheatham, T. E., 3rd. (2018). Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data. Journal of Computational Chemistry, 39(25), 2110–2117. https://doi.org/10.1002/jcc.25382
   PubMed Web of Science ®Google Scholar
• Sarma, P., Shekhar, N., Prajapat, M., Avti, P., Kaur, H., & Kumar, S. (2020). In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain). Journal of Biomolecular Structure and Dynamics, 1–9. https://doi.org/10.1080/07391102.2020.1753580
   Google Scholar
• Sharma, J., Bhardwaj, V. K., Das, P., & Purohit, R. (2020). Identification of naturally originated molecules as γ-aminobutyric acid receptor antagonist. Journal of Biomolecular Structure and Dynamics, 1–12. https://doi.org/10.1080/07391102.2020.1720818
   Google Scholar
• Singh, P., Kumar, D., Vishvakarma, V. K., Yadav, P., Jayaraj, A., & Kumari, K. (2019). Computational approach to study the synthesis of noscapine and potential of stereoisomers against nsP3 protease of CHIKV. Heliyon, 5(12), e02795. https://doi.org/10.1016/j.heliyon.2019.e02795
   PubMed Web of Science ®Google Scholar
• Singh, P., Kumar, P., Katyal, A., Kalra, R., Dass, S. K., Prakash, S., & Chandra, R. (2010). Synthesis and electrochemical studies of charge-transfer complexes of thiazolidine-2,4-dione with sigma and pi acceptors. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 75(3), 983–991. https://doi.org/10.1016/j.saa.2009.12.019
   PubMed Web of Science ®Google Scholar
• Singh, R., Bhardwaj, V., & Purohit, R. (2020). Identification of a novel binding mechanism of Quinoline based molecules with lactate dehydrogenase of Plasmodium falciparum. Journal of Biomolecular Structure and Dynamics, 1–15. https://doi.org/10.1080/07391102.2020.1711809
   Web of Science ®Google Scholar
• Sinha, S. K., Shakya, A., Prasad, S. K., Singh, S., Gurav, N. S., & Prasad, R. S. (2020). An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets. Journal of Biomolecular Structure and Dynamics, 1–13. https://doi.org/10.1080/07391102.2020.1762741
   Web of Science ®Google Scholar
• Song, L. F., Lee, T. S., Zhu, C., York, D. M., & Merz, K. M., Jr. (2019). Using AMBER18 for relative free energy calculations. Journal of Chemical Information and Modeling, 59(7), 3128–3135. https://doi.org/10.1021/acs.jcim.9b00105
   PubMed Web of Science ®Google Scholar
• Thomas-Ruddel, D., Winning, J., Dickmann, P., Ouart, D., Kortgen, A., & Janssens, U. (2020). Coronavirus disease 2019 (COVID-19): update for anesthesiologists and intensivists March 2020. Anaesthesist, 1–10. https://doi.org/10.1007/s00101-020-00760-3
   Google Scholar
• Vishvakarma, V. K., Kumari, K., Patel, R., Dixit, V. S., Singh, P., Mehrotra, G. K., Chandra, R., & Chakrawarty, A. K. (2015). Theoretical model to investigate the alkyl chain and anion dependent interactions of Gemini surfactant with bovine serum albumin. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 143, 319–323. https://doi.org/10.1016/j.saa.2015.01.068
   PubMed Web of Science ®Google Scholar
• Vishvakarma, V. K., Shukla, N., Reetu Kumari, K., Patel, R., & Singh, P. (2019). A model to study the inhibition of nsP2B–nsP3 protease of dengue virus with imidazole, oxazole, triazole thiadiazole, and thiazolidine based scaffolds. Heliyon, 5(8), e02124. https://doi.org/10.1016/j.heliyon.2019.e02124
   PubMed Web of Science ®Google Scholar
• Vishvakarma, V. K., Singh, P., Dubey, M., Kumari, K., Chandra, R., & Pandey, N. D. (2013). Quantitative structure–activity relationship analysis of thiazolidineones: Potent antidiabetic compounds. Drug Metabolism and Drug Interactions, 28(1), 31–47. https://doi.org/10.1515/dmdi-2012-0036
   PubMedGoogle Scholar
• Zhang, Z., Zeng, X. H., Xia, X. M., & Lingle, C. J. (2009). N-terminal inactivation domains of beta subunits are protected from trypsin digestion by binding within the antechamber of BK channels. The Journal of General Physiology, 133(3), 263–282. https://doi.org/10.1085/jgp.200810079
   PubMed Web of Science ®Google Scholar