موظفي النجاح

نوع المنشور

بحث أصيل

المؤلفون

Moulay H. Youssouﬁ • Taibi Ben Hadda Muhammad Moazzam Naseer Ammar Bader • • Ismail Warad Yahia Nasser Mabkhot • •

In continuing our programme aimed to use

Petra, Osiris and Molinspiration (POM) analyses to search

for potent drugs against multidrug-resistant pathogens

(bacteria and fungi), a series of thirteen peptide alkaloids

from Zizyphus species (PAZ) were POM analysed and

evaluated for their calmodulin-dependent protein kinase-II

(CDPK) inhibition. Results showed that lipophilicity and

presence of (NH-CO) pharmacophore site are the major

factors that governed the orientation in determining antiKinase-II

activity. Furthermore, it was also found that

some of the POM analysed PAZ have a closed pharmacophore

sites which might be responsible for low bioactivity.

To conﬁrm the electronic, steric and hydrophobic

requirements for future modiﬁcations, we have also carried

out receptor based electrostatic analysis. Therefore, we

conclude that POM analyses may prove to be a suitable

method to correlate structural features of PAZ with their

promising anti-Kinase-II activity and may contribute to the

development of novel rigid natural analogs of most bioactive

hits 13 (IC

= 2.9 lM) against drug resistant

human cancers.

المجلة