MOLECULAR DOCKING OF A COBALT(II) BIS-CHELATE OF PHENYLGLYOXYLIC ACID THIOSEMICARBAZONE AGAINST HUMAN KINASE AND OXIDOREDUCTASE TARGETS
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Keywords

kobalt(II) kompleksi
tiosemikarbazon
molekulyar docking
EGFR
DHODH
tanlanmaganlik
redocking validatsiyasi
konsensus ballash

How to Cite

MOLECULAR DOCKING OF A COBALT(II) BIS-CHELATE OF PHENYLGLYOXYLIC ACID THIOSEMICARBAZONE AGAINST HUMAN KINASE AND OXIDOREDUCTASE TARGETS. (2026). Qo‘qon DPI. Ilmiy Xabarlar Jurnali, 8(9), 1561-1571. https://doi.org/10.70728/a.series.tab.v08.i09.201

Abstract

Kobalt(II) bis-xelati Co(PGTS)₂ oltita inson protein nishoniga dock qilindi; to‘rttasi oldindan belgilangan quti qoidasi bo‘yicha dock qilindi va faqat bittasi — EGFR (3W2S) — redocking validatsiyasidan o‘tdi. Kompleks to‘rttadan uchtasida erkin ligandning ikki shaklidan past ball oldi; DHODH (6LZL) yagona istisno bo‘lib qoldi. Eng katta ajralish ERK2 (4FUX) da qayd etildi, biroq u validatsiyalanmagan retseptorga tayanadi. Metall atomining turi natijani umuman o‘zgartirmadi, Vinardo funksiyasi esa Vina tartibini bironta nishonda ham takrorlamadi, bu esa xulosani sezilarli cheklaydi.
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References

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