Open Access
Issue |
BIO Web Conf.
Volume 172, 2025
International Conference on Nurturing Innovative Technological Trends in Engineering – BIOscience (NITTE-BIO 2025)
|
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Article Number | 02011 | |
Number of page(s) | 16 | |
Section | Bioinformatics / Computational Biology | |
DOI | https://doi.org/10.1051/bioconf/202517202011 | |
Published online | 10 April 2025 |
- P. Xia,A. Dubrovska, Tumor markers as an entry for SARS‐CoV‐infection, The FEBS journal, 287(17),3677-3680(2020).https://doi.org/10.1111/febs.15499 [CrossRef] [PubMed] [Google Scholar]
- C. Liu, Q. Zhou, Y. Li, L.V. Garner, S.P. Watkins, L. J. Carter, D. Albaiu, Research and development on therapeutic agents and vaccines for COVID-19 and related human coronavirus diseases,6(3),315-331(2020). https://doi.org/10.1021/acscentsci.0c00272 [Google Scholar]
- J. Shang,Y. Wan, C. Luo, G.Ye, Q. Geng, A. Auerbach, F. Li, Cell entry mechanisms of SARS-CoV-2, Proceedings of the National Academy of Sciences, 117(21), 11727-11734(2020) https://doi.org/10.1073/pnas.20031381 [CrossRef] [PubMed] [Google Scholar]
- B.K. Khuntia,V. Sharma, M. Wadhawan,V. Chhabra, B. Kidambi, S. Rathore, G. Sharma, Antiviral potential of Indian medicinal plants against influenza and SARSCoV:A systematic review, Natural Product Communications, 17(3),1934578X22108698(2022). https://doi.org/10.1177/1934578X221086988 [CrossRef] [Google Scholar]
- Y. Huang, C. Yang, X.F. Xu, W. Xu, S.W. Liu, Structural and functional properties of SARS-CoV-2 spike protein: potential antivirus drug development for COVID-19, Acta Pharmacologica Sinica, 41(9), 1141-1149(2020). [CrossRef] [PubMed] [Google Scholar]
- S.Z.A. Khader,S. Sidhra, M. Raju, M. Mohamed Rafi, S. Sundarraj, K.R. Abithaa, C. Kamaraj, S. Dhanush, Dioxepine-derived surface-capping gold nanoparticles (Dd-AuNPs) induces ROS-mediated apoptosis and cell cycle arrest in A549 human lung cancer cell line, Gold Bull 57, 65–77 (2024). https://doi.org/10.1007/s13404-024-00348-4 [CrossRef] [Google Scholar]
- P. Dey,T.K. Chaudhuri, Pharmacological aspects of Nerium indicum Mill: a comprehensive review, Pharmacognosy reviews, 8(16), 156 (2014) doi:10.4103/0973-7847.134250 [CrossRef] [PubMed] [Google Scholar]
- T. Arunachalam, S.Z.A. Khader, S. Sidhra, M. Vetrivel, S.T. Syed Ameen, I. S. Ameer Khadharu,D.M. Sabu, Radical scavenging and antiproliferative effect of novel phenolic derivatives isolated from Nerium indicum against human breast cancer cell line (MCF-7)—an in silico and in vitro approach, Environmental Science and Pollution Research, 27, 9038-9057(2020). https://doi.org/10.1007/s11356-019-07252-x [CrossRef] [PubMed] [Google Scholar]
- R. Newman, K.J. Sastry, Antiviral effects of oleandrin, Journal of the American College of Emergency Physicians Open, 2(3), (2021). doi: 10.1002/emp2.12469 [Google Scholar]
- I. Aanouz,A. Belhassan, K.E. Khatabi, T. Lakhlifi, M.E. Idrissi, M. Bouachrine, Moroccan Medicinal plants as inhibitors of COVID-19: Computational investigations, J. Biomolecular Structure and Dynamics, 39(8),2971-2979 (2020). https://doi.org/10.1080/07391102.2020.1758790 [Google Scholar]
- X.Y. Meng, H.X. Zhang, M. Mezei, M. Cui, Molecular docking: a powerful approach for structure-based drug discovery, Current computer-aided drug design, 7(2),146-157(2011). https://doi.org/10.2174/157340911795677602 [CrossRef] [Google Scholar]
- S. Sidhra, M. Vetrivel, S.Z.A. Khader, Y.T. Ragunathan, S.K. Kumar, P.Prabhu, D.L.D. Rajaram, Exploring gene network and protein interaction analysis of neurotrophin signaling pathway in ameloblastoma, In Silico Pharmacology, 12(1), 56(2024). https://doi.org/10.1007/s40203-024-00223-2 [CrossRef] [Google Scholar]
- S.Z.A. Khader, A. Thangakumar, S.Sidhra, S. Tajudeen, Novel phenolic compounds from Nerium indicum with anti-breast cancer activity, Indian Patent Grant No. 420602, dated 06.02.2023 [Google Scholar]
- A. Daina, O. Michielin, V. Zoete,SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific reports, 7(1), 42717(2017). https://doi.org/10.1038/srep42717 [CrossRef] [PubMed] [Google Scholar]
- M. Rai, A.V. Singh, N. Paudel, A. Kanase, E. Falletta, P. Kerka, M. Soos, Herbal concoction unveiled: a computational analysis of phytochemicals’ pharmacokinetic and toxicological profiles using novel approach methodologies (NAMs), Current Research in Toxicology 5,100118 (2023). https://doi.org/10.1016/j.crtox.2023.100118 [Google Scholar]
- K. Vanommeslaeghe, E. Hatcher, C. Acharya, S. Kundu, S. Zhong, J. Shim, A.D. Mackerell, CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields, Journal of computational chemistry, 31(4), 671-690(2010). https://doi.org/10.1002/jcc.21367 [CrossRef] [PubMed] [Google Scholar]
- B. Morak-Młodawska, M. Jelen, E. Martula, R. Korlacki, Study of lipophilicity and ADME properties of 1, 9-diazaphenothiazines with anticancer action, International Journal of Molecular Sciences, 24(8), 6970(2023). https://doi.org/10.3390/ijms24086970 [CrossRef] [Google Scholar]
- R. Hossain,C. Sarkar, S.M.H. Hassan, R.A. Khan, M. Arman, P. Ray, D. Calina, In silico screening of natural products as potential inhibitors of SARS-CoV-2 using molecular docking simulation,Chinese journal of integrative medicine, 28(3), 249-256(2022). [CrossRef] [PubMed] [Google Scholar]
- M.A. Zígolo, M.R. Goytia, H.R. Poma, V.B. Rajal,V.P. Irazusta, Virtual screening of plant-derived compounds against SARS-CoV-2 viral proteins using computational tools, Science of the Total Environment, 781, 146400 (2021).https://doi.org/10.1016/j.scitotenv.2021.146400 [CrossRef] [Google Scholar]
- K. Das, Application of Indian medicinal herbs for skin problems following safety measures against COVID-19, Iranian Journal of Dermatology, 23(Suppl 1(COVID-19)),24-37(2020). DOI: 10.22034/IJD.2020.120510 [Google Scholar]
- D. Mitra, D. Verma, B. Mahaku, A. Kamboj, R. Srivastava,S. Gupta,P.K.D. Mohapatra, Molecular docking and simulation studies of natural compounds of Vitex negundo L. against papain-like protease (PLpro) of SARS CoV-2 (coronavirus) to conquer the pandemic situation in the world,Journal of Biomolecular Structure and Dynamics, 40(12),5665-5686 (2022).https://doi.org/10.1080/07391102.2021.1873185 [CrossRef] [PubMed] [Google Scholar]
- D. Verma, D. Mitra, M. Paul, P. Chaudhary, A. Kamboj, H. Thatoi, P. Janmeda, D. Jain, P. Panneerselvam, R. Shrivastav, K. Pant, P.K. Das Mohapatra, Potential inhibitors of SARS-CoV-2 (COVID 19) proteases PLpro and Mpro/ 3CLpro: molecular docking and simulation studies of three pertinent medicinal plant natural components. Current Research in Pharmacology and Drug Discovery, 2(21),100038(2021). https://doi.org/10.1016/j.crphar.2021.100038 [CrossRef] [PubMed] [Google Scholar]
- I.H.P. Vieira, E.B. Botelho, T.J. De Souza Gomes, R. Kist, R.A. Caceres, F.B. Zanchi, Visual dynamics: a WEB application for molecular dynamics simulation using GROMACS. BMC bioinformatics, 24(1),107(2023). https://doi.org/10.1186/s12859-023-05234-y [CrossRef] [PubMed] [Google Scholar]
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