Synthesis and Molecular Docking of Some Grossgemin Amino Derivatives as Tubulin Inhibitors Targeting Colchicine Binding Site

Jalmakhanbetova R.I. Elkaeed E.B. Eissa I.H. Metwaly A.M. Suleimen Y.M.
2021 Hindawi Limited

Journal of Chemistry
2021 #2021

Six amino derivatives of grossgemin (2-7) were synthesized according to the reported essential pharmacophoric features of colchicine binding site inhibitors (CBSIs). The derivatives 4-6 were obtained for the first time. The pharmacophoric features of 2-7 as CBSIs were studied to be almost identical. Furthermore, the 3D-flexible alignment of compound 5 as a representative example with colchicine showed a very good overlapping. In agreement, compounds 2-7 docked into CBS with binding modes very similar to that of colchicine and exhibited binding free energies of -24.57, -25.05, -32.16, -29.34, -26.38, and -26.86 (kcal/mol), respectively. The binding free energies of 4-7 were better than that of colchicine (-26.13 kcal/mol) with a noticeable superiority to compound 4.

Text of the article Перейти на текст статьи

Kazakh University of Technology and Business, Nur-Sultan, 010008, Kazakhstan
Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Ad Diriyah, Riyadh, 13713, Saudi Arabia
Pharmaceutical Medicinal Chemistry and Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, 11884, Egypt
Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt
Sh. Ualikhanov Kokshetau University, Kokshetau, 020000, Kazakhstan

Kazakh University of Technology and Business
Department of Pharmaceutical Sciences
Pharmaceutical Medicinal Chemistry and Drug Design Department
Pharmacognosy and Medicinal Plants Department
Sh. Ualikhanov Kokshetau University

10 лет помогаем публиковать статьи Международный издатель

Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026