eamdacademy.org-ScKi-1793102400-s806454147 1793102400 Eurasian Academy of Medicine and Dentistry info@eamdacademy.org Eurasian Academy of Medicine and Dentistry Journal of Applied Pharmaceutical Technologies and Systems J Appl Pharm Technol Syst 3149-9589 2025 4 1 Sanjay Kulkarni Meenal Joshi Aniket Deshmukh 2025 10.68159/s806454147 https://eamdacademy.org/pub/journal/3/article/s806454147 [WHO] World Health Organization. WHO Coronavirus (COVID-19) Dashboard. 2022. Available from: https://covid19.who.int. Bhimraj A, Morgan RL, Shumaker AH, Lavergne V, Baden L, Cheng VC, et al. infectious diseases society of America guidelines on the treatment and management of patients with COVID-19. Clin Infect Dis. 2020:ciaa478. Bryant A, Lawrie TA, Dowswell T, Fordham EJ, Mitchell S, Hill SR, et al. Ivermectin for prevention and treatment of COVID-19 infection: a systematic review, meta-analysis, and trial sequential analysis to inform clinical guidelines. Am J Ther. 2021;28(4):e434-60. 10.1097/MJT.0000000000001402 Huang Y, Yang C, Xu XF, Xu W, Liu SW. Structural and functional properties of SARS-CoV-2 spike protein: potential antivirus drug development for COVID-19. Acta Pharmacol Sin. 2020;41(9):1141-9. 10.1038/s41401-020-0485-4 Davidson A, Wysocki J, Batlle D. Interaction of SARS-CoV-2 and other coronaviruses with ACE (angiotensin-converting enzyme)-2 as their main receptor. Hypertension. 2020;76(5):1339-49. 10.1161/HYPERTENSIONAHA.120.15256 Xiang R, Yu Z, Wang Y, Wang L, Huo S, Li Y, et al. Recent advances in developing small-molecule inhibitors against SARS-CoV-2. Acta Pharm Sin B. 2022;12(4):1591-623. 10.1016/j.apsb.2021.06.016 Hoffmann M, Kleine-Weber H, Schroeder S, Krüger N, Herrler T, Erichsen S, et al. SARS-CoV-2 cell entry depends on ACE2 and TMPRSS2 and is blocked by a clinically proven protease inhibitor. Cell. 2020;181(2):271-80. 10.1016/j.cell.2020.02.052 Zhao MM, Yang WL, Yang FY, Zhang L, Huang WJ, Hou W, et al. Cathepsin L plays a key role in SARS-CoV-2 infection in humans and humanized mice and is a promising target for new drug development. Signal Transduct Target Ther. 2021;6(1):134. 10.1038/s41392-021-00558-8 Shukla D. New antiviral drug combo may fight off coronavirus infection. Medical News Today. 2021. Available from: https://www.medicalnewstoday.com/articles/new-antiviral-drug-combo-may-fight-off-coronavirus-infection Macalino SJ, Billones JB, Organo VG, Carrillo MC. In silico strategies in tuberculosis drug discovery. Molecules. 2020;25(3):665. 10.3390/molecules25030665 Stahura F, Bajorath J. Virtual screening methods that complement HTS. Comb Chem High Throughput Screen. 2004;7(4):259-69. 10.2174/1386207043328706 Sampaco III ARB, Billones JB. Virtual screening of natural products, molecular docking and dynamics simulations on M. tuberculosis S-adenosyl-L-homocysteine. Orient J Chem. 2015;31(4):1859-65. Billones JB, Carrillo MCO, Organo VG, Macalino SJY, Emnacen IA, Sy JBA. Virtual screening against Mycobacterium tuberculosis Lipoate Protein Ligase B (MtbLipB) and In Silico ADMET Evaluation of Top Hits. Orient J Chem. 2013;29(4):1457-68. Uy VCC, Billones JB. Towards antituberculosis drugs: virtual screening for potential inhibitors of pantothenate synthetase of Mycobacterium tuberculosis. Philipp Sci Lett. 2012;5(2):122-30. Available from: https://philsciletters.net/2012-122/ Yang CTM, Billones JB. Towards antituberculosis drugs: molecular docking of curcumin and its analogues to pantothenate synthetase. Philipp J Sci. 2012;141(2):187-96. Available from: https://philjournalsci.dost.gov.ph/home-1/36-vol-141-no-2-december-2012/473-towards-antituberculosis-drugs-molecular-docking-of-curcumin-and-its-analogues-to-pantothenate-synthetase Billones JB. Reverse docking study unravels the potential Mycobacterium tuberculosis enzyme targets of agelasine F. Orient J Chem. 2016;32(2):851-8. Wolber G, Langer T. LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters. J Chem Inf Model. 2005;45(1):160-9. O’Boyle NM, Banck M, James CA, Morley C, Vandermeersch T, Hutchison GR. Open Babel: an open chemical toolbox. J Cheminform. 2011;3:33. 10.1186/1758-2946-3-33 Trott O, Olson AJ. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem. 2010;31(2):455-61. 10.1002/jcc.21334 Mysinger MM, Carchia M, Irwin JJ, Shoichet BK. Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking. J Med Chem. 2012;55(14):6582-94. 10.1021/jm300687e Chan C. What is a ROC Curve and How to Interpret It. Displayr Blog. 2018. Available from: https://www.displayr.com/what-is-a-roc-curve-how-to-interpret-it/ Bouback TA, Pokhrel S, Albeshri A, Aljohani AM, Samad A, Alam R, et al. Pharmacophore-based virtual screening, quantum mechanics calculations, and molecular dynamics simulation approaches identified potential natural antiviral drug candidates against MERS-CoV S1-NTD. Molecules. 2021;26(16):4961. 10.3390/molecules26164961 Hevener KE, Zhao W, Ball DM, Babaoglu K, Qi J, White SW, et al. Validation of molecular docking programs for virtual screening against dihydropteroate synthase. J Chem Inf Model. 2009;49(2):444-60. 10.1021/ci800293n Du X, Li Y, Xia YL, Ai SM, Liang J, Sang P, et al. Insights into protein-ligand interactions: mechanisms, models, and methods. Int J Mol Sci. 2016;17(2):144. 10.3390/ijms17020144 Vošilák M, Kolár M, Čmelo I, Svozil D. SYBA: bayesian estimation of synthetic accessibility of organic compounds. J Cheminform. 2020;12(1):35. 10.1186/s13321-020-00439-2 Bosch-Barrera J, Sais E, Cañete N, Marruecos J, Cuyàs E, Izquierdo A, et al. Response of brain metastasis from lung cancer patients to an oral nutraceutical product containing silibinin. Oncotarget. 2016;7(22):32006-14. 10.18632/oncotarget.7900 Bosch-Barrera J, Martin-Castillo B, Buxó M, Brunet J, Encinar JA, Menendez JA. Silibinin and SARS-CoV-2: dual targeting of host cytokine storm and virus replication machinery for clinical management of COVID-19 patients. J Clin Med. 2020;9(6):1770. 10.3390/jcm9061770 Speciale A, Muscarà C, Molonia MS, Cimino F, Saija A, Giofrè SV. Silibinin as potential tool against SARS‐Cov‐2: in silico spike receptor‐binding domain and main protease molecular docking analysis, and in vitro endothelial protective effects. Phytother Res. 2021;35(8):4616-25. 10.1002/ptr.7107 Lind KF, Østerud B, Hansen E, Jørgensen TØ, Andersen JH. The immunomodulatory effects of barettin and involvement of the kinases CAMK1α and RIPK2. Immunopharmacol Immunotoxicol. 2015;37(5):458-64. 10.3109/08923973.2015.1082584