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Synthesis, Antibacterial Activity and Molecular Docking of Phospholidinones in Stigmastane Series.
Khan, Azhar U; Alam, Mahboob; Park, Soonheum; Dwivedi, Poonam; Sharma, Sunil K; Jain, Sapna.
Afiliación
  • Khan AU; School of Basic Sciences, Department of Chemistry, Jaipur National University, Jaipur-302017 (Rajasthan), India.
  • Alam M; Division of Chemistry and Biotechnology, Dongguk University, 123 Dongdae-ro, Gyeongju 780-714, South Korea.
  • Park S; Department of Advanced Materials Chemistry, Dongguk University, 123 Dongdae-ro, Gyeongju 780-714, South Korea.
  • Dwivedi P; School of Basic Sciences, Department of Chemistry, Jaipur National University, Jaipur-302017 (Rajasthan), India.
  • Sharma SK; School of Basic Sciences, Department of Chemistry, Jaipur National University, Jaipur-302017 (Rajasthan), India.
  • Jain S; Department of Biotechnology, Jaipur National University, Jaipur-302017, (Rajasthan), India.
Curr Comput Aided Drug Des ; 15(3): 259-264, 2019.
Article en En | MEDLINE | ID: mdl-30370854
INTRODUCTION: Steroid compounds are widely distributed in nature throughout scientific history. Living organisms such as animals and vegetables have steroids that show a significant effect on their vital activities. Sterols are key components of all eukaryotic cell membranes. METHODS: Steroidal compounds; 3ß-oxo-[1',3',2'-oxathiaphos-phalidine-2'-one] stigmast-5-ene and 3ß- oxo[1`,3`,2`-dioxaphosphalidine-2`-one]-stigmast-5-ene were successfully prepared using easily accessible 3ß-hydroxy stigmast-5-ene with phosphorous oxychloride (POCl3), 2- mercaptoethanol/ethylene glycol and triethylamine (Et3N) in dry diethyl ether. Products were obtained in semi-solid state and characterized using physicochemical techniques. RESULTS: The results of the bioassay showed that the synthesized compound containing the sulfur atom had antibacterial activity. Molecular docking was also done in order to show in silico antibacterial activity and to make out the probable binding mode of compound with the amino acid residues of protein. CONCLUSION: The results of the docking study showed that synthesized compound 2 had minimal binding energy with substantial affinity for the active site.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Colestadienoles / Antibacterianos Idioma: En Revista: Curr Comput Aided Drug Des Asunto de la revista: FARMACOLOGIA / INFORMATICA MEDICA Año: 2019 Tipo del documento: Article País de afiliación: India Pais de publicación: Emiratos Árabes Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Colestadienoles / Antibacterianos Idioma: En Revista: Curr Comput Aided Drug Des Asunto de la revista: FARMACOLOGIA / INFORMATICA MEDICA Año: 2019 Tipo del documento: Article País de afiliación: India Pais de publicación: Emiratos Árabes Unidos