2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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American Chemical Society
2023-11-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.3c07003 |
| _version_ | 1827698073461063680 |
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| author | Sivakumar Bathula Murugesan Sankaranarayanan Beutline Malgija Ilango Kaliappan Richie R. Bhandare Afzal B. Shaik |
| author_facet | Sivakumar Bathula Murugesan Sankaranarayanan Beutline Malgija Ilango Kaliappan Richie R. Bhandare Afzal B. Shaik |
| author_sort | Sivakumar Bathula |
| collection | DOAJ |
| first_indexed | 2024-03-10T13:22:29Z |
| format | Article |
| id | doaj.art-982655d89ca54c75b809f28fe50b7ce1 |
| institution | Directory Open Access Journal |
| issn | 2470-1343 |
| language | English |
| last_indexed | 2024-03-10T13:22:29Z |
| publishDate | 2023-11-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj.art-982655d89ca54c75b809f28fe50b7ce12023-11-21T09:56:57ZengAmerican Chemical SocietyACS Omega2470-13432023-11-01846442874431110.1021/acsomega.3c070032‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation StudiesSivakumar Bathula0Murugesan Sankaranarayanan1Beutline Malgija2Ilango Kaliappan3Richie R. Bhandare4Afzal B. Shaik5Department of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, IndiaMedicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology & Science (BITS) Pilani, Pilani, Rajasthan, IndiaMCC-MRF Innovation Park, Madras Christian College, Chennai, Tamil Nadu, IndiaDepartment of Pharmaceutical Chemistry, SRM College of Pharmacy, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, IndiaDepartment of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Ajman University, Ajman, United Arab EmiratesSt. Mary’s College of Pharmacy, St. Mary’s Group of Institutions Guntur, Affiliated to Jawaharlal Nehru Technological University Kakinada, Guntur, Andhra Pradesh, Indiahttps://doi.org/10.1021/acsomega.3c07003 |
| spellingShingle | Sivakumar Bathula Murugesan Sankaranarayanan Beutline Malgija Ilango Kaliappan Richie R. Bhandare Afzal B. Shaik 2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies ACS Omega |
| title | 2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies |
| title_full | 2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies |
| title_fullStr | 2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies |
| title_full_unstemmed | 2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies |
| title_short | 2‑Amino Thiazole Derivatives as Prospective Aurora Kinase Inhibitors against Breast Cancer: QSAR, ADMET Prediction, Molecular Docking, and Molecular Dynamic Simulation Studies |
| title_sort | 2 amino thiazole derivatives as prospective aurora kinase inhibitors against breast cancer qsar admet prediction molecular docking and molecular dynamic simulation studies |
| url | https://doi.org/10.1021/acsomega.3c07003 |
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