Pharmacoinformatic based screening of phytochemicals from Ashwagandha (Withania somnifera) against serine/arginine splicing factor 1 protein in treatment of pancreatic cancer

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dc.contributor.authorKabilan, Shanmugampillai Jeyarajaguruen_US
dc.contributor.authorKavish, Satheeshen_US
dc.date.accessioned2025-08-13T11:17:16Z
dc.date.available2025-08-13T11:17:16Z
dc.date.issued2025-06
dc.description.abstractPancreatic cancer sometimes referred to as pancreatic ductal adenocarcinoma, a disease in which the tissues of the pancreas develop malignant (cancerous) cells. The main objective of this work was to use in silico molecular modeling tools to predict highly efficacious therapeutic molecules from Withania somnifera, a medicinal plant also known as winter cherry or Ashwagandha, to bind promising targets against pancreatic cancer. Thirty four phytocompounds produced from Withania somnifera were identified using the IMPPAT database, and their structures were found in the PubChem database. A putative target protein called Serine/arginine-rich splicing factor 1 (SRSF1) was matched to every phytocompound. Somniferine (–10.4 kcal × mol–1), Physagulin-D (–10.2 kcal × mol–1), and 27-Deoxywithaferin -A (–10.1 kcal × mol–1), the phytocompounds from Withania somnifera with the highest scores, were selected for further examination and compared with the reference drug CID60750 (–6.7 kcal × mol–1). To verify their druggability, a few top-scoring phytocompounds drug-likeness, pharmacokinetic, and toxicological properties were evaluated. These expected results suggest that in the treatment of pancreatic cancer, phytocompounds inhibit the SRSF1 protein. Additional in vitro and in vivo investigations are required to validate the anticipated characteristics of these substances.en_US
dc.identifier.affiliationsDepartment of Biotechnology, Kalasalingam Academy of Research and Education, Krishnankoil-626 126, Tamil Nadu, Indiaen_US
dc.identifier.affiliationsDepartment of Biotechnology, Kalasalingam Academy of Research and Education, Krishnankoil-626 126, Tamil Nadu, Indiaen_US
dc.identifier.citationKabilan Shanmugampillai Jeyarajaguru, Kavish Satheesh . Pharmacoinformatic based screening of phytochemicals from Ashwagandha (Withania somnifera) against serine/arginine splicing factor 1 protein in treatment of pancreatic cancer . Indian Journal of Biochemistry & Biophysics. 2025 Jun; 62(6): 632-644en_US
dc.identifier.issn0301-1208
dc.identifier.issn0975-0959
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/253482
dc.languageenen_US
dc.publisherCSIR-National Institute of Science Communication and Policy Research (NIScPR)en_US
dc.relation.issuenumber6en_US
dc.relation.volume62en_US
dc.source.urihttps://doi.org/10.56042/ijbb.v62i6.11900en_US
dc.subjectAshwagandhaen_US
dc.subjectMolecular dockingen_US
dc.subjectPancreatic canceren_US
dc.subjectSRSF1 receptoren_US
dc.subjectWithania somniferaen_US
dc.titlePharmacoinformatic based screening of phytochemicals from Ashwagandha (Withania somnifera) against serine/arginine splicing factor 1 protein in treatment of pancreatic canceren_US
dc.typeJournal Articleen_US
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