INTEGRATING MOLECULAR DOCKING APPROACHES FOR A SERIES OF PROLINE-BASED 2, 5-DIKETOPIPERAZINES THAT ACT AS NOVEL αβ-TUBULIN INHIBITORS

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FANI N.; BORDBAR A.K.; GHAYEB Y.; SEPEHRI S.

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Seminar: IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY
Year:2014 | Issue:20

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Title

INTEGRATING MOLECULAR DOCKING APPROACHES FOR A SERIES OF PROLINE-BASED 2, 5-DIKETOPIPERAZINES THAT ACT AS NOVEL αβ-TUBULIN INHIBITORS

Author(s)

FANI N. | BORDBAR A.K. | GHAYEB Y. | SEPEHRI S. | Issue Writer Certificate

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Abstract

MICROTUBULES, ARE THE BASIC COMPONENTS OF CELL STRUCTURE, WHICH TAKE PART IN CHROMOSOME SEGREGATION DURING CELL DIVISION. MANY CHEMICALLY DIVERSE COMPOUNDS BIND TO MICROTUBULES AND ARREST THE CELL CYCLE BY INTERFERING WITH MICROTUBULE ASSEMBLY. THESE MOLECULES CONSTITUTE AN IMPORTANT CLASS OF ANTITUMOR AGENTS [1].2, 5-DIKETOPIPERAZINES (2, 5-DKPS) ARE AN INTERESTING CLASS OF CYCLIC PEPTIDES WHICH ARE OFTEN FOUND IN A VARIETY OF NATURAL PRODUCTS FROM FUNGI, BACTERIA, THE PLANT KINGDOM, AND MAMMALS. SINCE THE 2, 5-DKP CORE FOUND IN THE POTENT AND SELECTIVE MICROTUBULE BINDING AGENTS, PROLINE-BASED 2, 5-DIKETOPIPERAZINES HAVE THEREFORE, BECOME ATTRACTIVE CANDIDATES FOR ANTICANCER DRUG DESIGN [2].SEVERAL EXPERIMENTAL STUDIES HAVE BEEN REPORTED ON SYNTHESIS AND BIOLOGICAL ACTIVITY OF THE 2, 5-DIKETOPIPERAZINES. HOWEVER, THERE IS NOT ANY COMPUTATIONAL STUDY ON THE INTERACTIONS BETWEEN PROLINEBASED DKPS AND AB-TUBULIN IN THE LITERATURES. HENCE, IT WOULD BE OF INTEREST TO DO MOLECULAR MODELING STUDIES ON THE STRUCTURE–ACTIVITY RELATIONSHIP (SAR) OF THESE COMPOUNDS TO OBTAIN INSIGHT IN TO THEIR INHIBITION PROPERTIES WITH A CERTAIN LEVEL OF ACCURACY.

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APA: Copy

FANI, N., BORDBAR, A.K., GHAYEB, Y., & SEPEHRI, S.. (2014). INTEGRATING MOLECULAR DOCKING APPROACHES FOR A SERIES OF PROLINE-BASED 2, 5-DIKETOPIPERAZINES THAT ACT AS NOVEL αβ-TUBULIN INHIBITORS. IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY. SID. https://sid.ir/paper/913672/en

Vancouver: Copy

FANI N., BORDBAR A.K., GHAYEB Y., SEPEHRI S.. INTEGRATING MOLECULAR DOCKING APPROACHES FOR A SERIES OF PROLINE-BASED 2, 5-DIKETOPIPERAZINES THAT ACT AS NOVEL αβ-TUBULIN INHIBITORS. 2014. Available from: https://sid.ir/paper/913672/en

IEEE: Copy

N. FANI, A.K. BORDBAR, Y. GHAYEB, and S. SEPEHRI, “INTEGRATING MOLECULAR DOCKING APPROACHES FOR A SERIES OF PROLINE-BASED 2, 5-DIKETOPIPERAZINES THAT ACT AS NOVEL αβ-TUBULIN INHIBITORS,” presented at the IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY. 2014, [Online]. Available: https://sid.ir/paper/913672/en

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