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Page 1
Crystallographic Aspects, Photophysical Properties, and Theoretical Survey of Tetrachlorometallates of Group 12 Metals [Zn(II), Cd(II), and Hg(II)] with a Triply Protonated 2,4,6-Tris(2-pyridyl)-1,3,5-triazine Ligand.
Pramanik S, Jana S, Das K, Pathak S, Ortega-Castro J, Frontera A, Mukhopadhyay S. Pramanik S, et al. Among authors: ortega castro j. Inorg Chem. 2023 May 15;62(19):7220-7234. doi: 10.1021/acs.inorgchem.2c04521. Epub 2023 May 2. Inorg Chem. 2023. PMID: 37130352 Free PMC article.
Author Correction: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target.
Anandan S, Gowtham HG, Shivakumara CS, Thampy A, Singh SB, Murali M, Shivamallu C, Pradeep S, Shilpa N, Shati AA, Alfaifi MY, Elbehairi SEI, Ortega-Castro J, Frau J, Flores-Holguín N, Kollur SP, Glossman-Mitnik D. Anandan S, et al. Among authors: ortega castro j. Sci Rep. 2023 Feb 9;13(1):2328. doi: 10.1038/s41598-023-28772-0. Sci Rep. 2023. PMID: 36759550 Free PMC article. No abstract available.
Molecular insights into the in silico discovery of corilagin from Terminalia chebula as a potential dual inhibitor of SARS-CoV-2 structural proteins.
Pradeep S, Patil SM, Dharmashekara C, Jain A, Ramu R, Shirahatti PS, Mandal SP, Reddy P, Srinivasa C, Patil SS, Ortega-Castro J, Frau J, Flores-Holgúın N, Shivamallu C, Kollur SP, Glossman-Mitnik D. Pradeep S, et al. Among authors: ortega castro j. J Biomol Struct Dyn. 2023 Dec;41(20):10869-10884. doi: 10.1080/07391102.2022.2158943. Epub 2022 Dec 28. J Biomol Struct Dyn. 2023. PMID: 36576118
Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target.
Anandan S, Gowtham HG, Shivakumara CS, Thampy A, Singh SB, Murali M, Shivamallu C, Pradeep S, Shilpa N, Shati AA, Alfaifi MY, Elbehairi SEI, Ortega-Castro J, Frau J, Flores-Holguín N, Kollur SP, Glossman-Mitnik D. Anandan S, et al. Among authors: ortega castro j. Sci Rep. 2022 Dec 27;12(1):22446. doi: 10.1038/s41598-022-22038-x. Sci Rep. 2022. PMID: 36575224 Free PMC article.
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies.
Murali M, Gowtham HG, Shilpa N, Krishnappa HKN, Ledesma AE, Jain AS, Shati AA, Alfaifi MY, Elbehairi SEI, Achar RR, Silina E, Stupin V, Ortega-Castro J, Frau J, Flores-Holguín N, Amruthesh KN, Shivamallu C, Kollur SP, Glossman-Mitnik D. Murali M, et al. Among authors: ortega castro j. Molecules. 2022 Nov 28;27(23):8288. doi: 10.3390/molecules27238288. Molecules. 2022. PMID: 36500380 Free PMC article.
Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studies.
Gowtham HG, Murali M, Singh SB, Shivamallu C, Pradeep S, Shivakumar CS, Anandan S, Thampy A, Achar RR, Silina E, Stupin V, Ortega-Castro J, Frau J, Flores-Holguín N, Amruthesh KN, Kollur SP, Glossman-Mitnik D. Gowtham HG, et al. Among authors: ortega castro j. PLoS One. 2022 Oct 6;17(10):e0275432. doi: 10.1371/journal.pone.0275432. eCollection 2022. PLoS One. 2022. PMID: 36201520 Free PMC article.
N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations.
Mariwamy VH, Kollur SP, Shivananda B, Begum M, Shivamallu C, Dharmashekara C, Pradeep S, Jain AS, Prasad SK, Syed A, Elgorban AM, Al-Rejaie S, Ortega-Castro J, Frau J, Flores-Holguín N, Glossman-Mitnik D. Mariwamy VH, et al. Among authors: ortega castro j. Molecules. 2022 Feb 21;27(4):1436. doi: 10.3390/molecules27041436. Molecules. 2022. PMID: 35209226 Free PMC article.
49 results