Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational Design of Antimetastatic Agents for Cancer Therapy
المؤلفون المشاركون
Han, Jing
Yan, Guochao
Feng, Jianping
Yang, Xianglin
Zhou, Yuan
المصدر
العدد
المجلد 2020، العدد 2020 (31 ديسمبر/كانون الأول 2020)، ص ص. 1-10، 10ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2020-05-16
دولة النشر
مصر
عدد الصفحات
10
التخصصات الرئيسية
الملخص EN
Topomer comparative molecular field analysis (topomer CoMFA) is applied to the quantitative structure-activity relationship (QSAR) study of aminomethylenethiophene (AMT) derivatives as lysyl oxidase (LOX) inhibitors.
A total of thirty-six AMT derivatives were selected to build the QSAR model.
The established topomer CoMFA model has the non-cross-validated correlation coefficient (r2) of 0.912 and the leave-one-out correlation coefficient (q2) of 0.540, which is statistically significant.
The theoretically predicted anti-LOX potency agrees well with the experimentally observed inhibitory activity, proving the reasonable predictive ability of the QSAR model.
The effect of molecular field information on the LOX inhibition of substituted aminomethylenethiophene was discussed in detail.
The structural modification of the aminomethylenethiophene scaffold was carried out, and novel AMT derivatives with theoretically decent LOX inhibition were proposed.
The topomer CoMFA modeling could provide a quantitative perspective into the structure-activity relationship of AMT derivatives and potentially speed up the rational design of LOX inhibitors as antimetastatic agents for cancer therapy.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Han, Jing& Yan, Guochao& Feng, Jianping& Yang, Xianglin& Zhou, Yuan. 2020. Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational Design of Antimetastatic Agents for Cancer Therapy. Journal of Chemistry،Vol. 2020, no. 2020, pp.1-10.
https://search.emarefa.net/detail/BIM-1181467
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Han, Jing…[et al.]. Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational Design of Antimetastatic Agents for Cancer Therapy. Journal of Chemistry No. 2020 (2020), pp.1-10.
https://search.emarefa.net/detail/BIM-1181467
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Han, Jing& Yan, Guochao& Feng, Jianping& Yang, Xianglin& Zhou, Yuan. Using Topomer Comparative Molecular Field Analysis to Elucidate Activity Differences of Aminomethylenethiophene Derivatives as Lysyl Oxidase Inhibitors: Implications for Rational Design of Antimetastatic Agents for Cancer Therapy. Journal of Chemistry. 2020. Vol. 2020, no. 2020, pp.1-10.
https://search.emarefa.net/detail/BIM-1181467
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1181467
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر