Identification of high-affinity pyridoxal kinase inhibitors targeting cancer therapy: an integrated docking and molecular dynamics simulation approach.

Banerjee, Pallabi; Chandra, Anshuman; Mohammad, Taj; Singh, Nagendra; Hassan, Md Imtaiyaz; Qamar, Imteyaz

Banerjee, Pallabi; Chandra, Anshuman; Mohammad, Taj; Singh, Nagendra; Hassan, Md Imtaiyaz; Qamar, Imteyaz.

Banerjee P; School of Biotechnology, Gautam Buddha University, Greater Noida, India.
Chandra A; School of Physical Sciences, Jawaharlal Nehru University, New Delhi, India.
Mohammad T; Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India.
Singh N; School of Biotechnology, Gautam Buddha University, Greater Noida, India.
Hassan MI; Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India.
Qamar I; School of Biotechnology, Gautam Buddha University, Greater Noida, India.

J Biomol Struct Dyn ; : 1-18, 2023 Aug 14.

Article en En | MEDLINE | ID: mdl-37578056

Palabras clave

DFT calculation; Pyridoxal kinase; cancer therapy; molecular docking; molecular dynamics simulation; specific inhibitors

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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Diagnostic_studies Idioma: En Año: 2023 Tipo del documento: Article

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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Diagnostic_studies Idioma: En Año: 2023 Tipo del documento: Article