In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum
Background: As the unique value of medicinal Dendrobium species has gradually been recognized, the growing demand is causing pressure on wild populations. The present work aimed to perform in-silico study of a novel phytosterol isolated from Dendrobium ochreatum. From phytochemical analysis, the pre...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022-09-01
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| Series: | Pharmacological Research - Modern Chinese Medicine |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667142522001099 |
| _version_ | 1811211412692795392 |
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| author | Janmajoy Banerjee Dipanjan Karati |
| author_facet | Janmajoy Banerjee Dipanjan Karati |
| author_sort | Janmajoy Banerjee |
| collection | DOAJ |
| description | Background: As the unique value of medicinal Dendrobium species has gradually been recognized, the growing demand is causing pressure on wild populations. The present work aimed to perform in-silico study of a novel phytosterol isolated from Dendrobium ochreatum. From phytochemical analysis, the presence of steroids was observed only in chloroform extracts of the stem, and the antimicrobial activities supported the extracts to be the most significant one. Now we are going to perform the docking, and toxicity study of this phytosterol against cancer. Method: The docking study was performed by Autodock-Vina tools. The required proteins have been downloaded from RCSB website. Its toxicity class were predicted by the ProTox-II server (tox.charite.de/protox_II/). Result: The phytosterol has high binding energy against 1M17 protein as EGFR inhibitor. The molecule has been tested for its toxicity. From the result we have come to know that this phytosterol has only immunotoxicity and is under class 5 of toxicity. Conclusion: This isolated steroid was showed high binding energy against 1M17 protein. We have performed also the toxicity study of this scaffold. From the result we can conclude that is molecule is safe (belong to toxic class 5). |
| first_indexed | 2024-04-12T05:12:34Z |
| format | Article |
| id | doaj.art-74da1b2430514983ac26955808d62b05 |
| institution | Directory Open Access Journal |
| issn | 2667-1425 |
| language | English |
| last_indexed | 2024-04-12T05:12:34Z |
| publishDate | 2022-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Pharmacological Research - Modern Chinese Medicine |
| spelling | doaj.art-74da1b2430514983ac26955808d62b052022-12-22T03:46:43ZengElsevierPharmacological Research - Modern Chinese Medicine2667-14252022-09-014100149In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatumJanmajoy Banerjee0Dipanjan Karati1Department of Pharmaceutical Chemistry, Gitanjali College of Pharmacy, MAKAUT, Birbhum, West Bengal 731237, IndiaCorresponding author at: Gitanjali College of Pharmacy, West Bengal 731237, India.; Department of Pharmaceutical Chemistry, Gitanjali College of Pharmacy, MAKAUT, Birbhum, West Bengal 731237, IndiaBackground: As the unique value of medicinal Dendrobium species has gradually been recognized, the growing demand is causing pressure on wild populations. The present work aimed to perform in-silico study of a novel phytosterol isolated from Dendrobium ochreatum. From phytochemical analysis, the presence of steroids was observed only in chloroform extracts of the stem, and the antimicrobial activities supported the extracts to be the most significant one. Now we are going to perform the docking, and toxicity study of this phytosterol against cancer. Method: The docking study was performed by Autodock-Vina tools. The required proteins have been downloaded from RCSB website. Its toxicity class were predicted by the ProTox-II server (tox.charite.de/protox_II/). Result: The phytosterol has high binding energy against 1M17 protein as EGFR inhibitor. The molecule has been tested for its toxicity. From the result we have come to know that this phytosterol has only immunotoxicity and is under class 5 of toxicity. Conclusion: This isolated steroid was showed high binding energy against 1M17 protein. We have performed also the toxicity study of this scaffold. From the result we can conclude that is molecule is safe (belong to toxic class 5).http://www.sciencedirect.com/science/article/pii/S2667142522001099Traditional Chinese medicine Dendrosterone In-silico study Cancer Epidermal growth factor receptor |
| spellingShingle | Janmajoy Banerjee Dipanjan Karati In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum Pharmacological Research - Modern Chinese Medicine Traditional Chinese medicine Dendrosterone In-silico study Cancer Epidermal growth factor receptor |
| title | In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum |
| title_full | In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum |
| title_fullStr | In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum |
| title_full_unstemmed | In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum |
| title_short | In-silico pharmacology against cancer of a novel phytosterol Dendrosterone isolated from plant Dendrobium ochreatum |
| title_sort | in silico pharmacology against cancer of a novel phytosterol dendrosterone isolated from plant dendrobium ochreatum |
| topic | Traditional Chinese medicine Dendrosterone In-silico study Cancer Epidermal growth factor receptor |
| url | http://www.sciencedirect.com/science/article/pii/S2667142522001099 |
| work_keys_str_mv | AT janmajoybanerjee insilicopharmacologyagainstcancerofanovelphytosteroldendrosteroneisolatedfromplantdendrobiumochreatum AT dipanjankarati insilicopharmacologyagainstcancerofanovelphytosteroldendrosteroneisolatedfromplantdendrobiumochreatum |