دراسة جديدة للعلاقة الكمية لللبنية التأثير QSAR للتنبؤ بالفعالية المثبطة لمشتقات (4-1-بنزويل إندول-3-إيل)‎ حمض الزبدة المستخدمة لعلاج مرض ضخامة البروستات الحميد

Abstract EN

Dihydro-testosterone (DHT) plays a major role in Benign Prostate Hypertrophy (BPH).

5-α reductase inhibitors type II can improve symptoms.

The only currently known inhibitors for this enzyme are Finasteride and Dutasteride.

There is an urgent need to develop and synthesize new and potent steroidal or nonsteroidal inhibitors, with less or no affinity toward steroidal and androgenic receptors.

Quantitative Structure Activity relationship (QSAR) is an important approach in drug design, mainly in the absence of crystal structure of the target, as in this study.

The study was conducted on 25 compounds.

The supposed generated QSAR model, showed 4variables describing different features for the studied compounds.

The QSAR model was developed using Multiple Linear regression (MLR).

Correlation coefficient was found to be 0.75, and Applicability Domain was identified.

The suggested model was validated test, using set which satisfied rigid criteria revealed the power of model through different statistical parameters.

The proposed model was superimposed on herbal drug components, which enabled to identify the potential potent inhibitors among them, which lies out within the applicability domain.

This generated equation is considered of great importance in the field of drug design, and synthesis orientation toward those structures proved to be potent with regard to this approach.