Delineating the interaction of combretastatin A-4 with αβ tubulin isotypes present in drug resistant human lung carcinoma using a molecular modeling approach

BV Kumbhar, VV Bhandare, D Panda… - Journal of biomolecular …, 2020 - Taylor & Francis
Tubulin isotypes are known to regulate microtubule dynamic instability and contribute to the
development of drug resistance in certain types of cancers. Combretastatin-A4 (CA-4) has a …

Identifying and characterising promising small molecule inhibitors of kinesin spindle protein using ligand-based virtual screening, molecular docking, molecular …

SA Elseginy - Journal of Computer-Aided Molecular Design, 2024 - Springer
The kinesin spindle protein (Eg5) is a mitotic protein that plays an essential role in the
formation of the bipolar spindles during the mitotic phase. Eg5 protein controls the …

Optical control of mitosis with a photoswitchable Eg5 inhibitor

AC Impastato, A Shemet, NA Vepřek… - Angewandte …, 2022 - Wiley Online Library
Eg5 is a kinesin motor protein that is responsible for bipolar spindle formation and plays a
crucial role during mitosis. Loss of Eg5 function leads to the formation of monopolar …

Exploring the interaction of Peloruside-A with drug resistant αβII and αβIII tubulin isotypes in human ovarian carcinoma using a molecular modeling approach

BV Kumbhar, VV Bhandare - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Microtubules (MTs) play an essential role in mitosis; hence they are identified as potential
targets to design novel anti-mitotic agents. MT's are composed of α/β-tubulin isotypes that …

Insights into the molecular mechanisms of Eg5 inhibition by (+)-morelloflavone

TH Ogunwa, E Laudadio, R Galeazzi, T Miyanishi - Pharmaceuticals, 2019 - mdpi.com
(+)-Morelloflavone (MF) is an antitumor biflavonoid that is found in the Garcinia species.
Recently, we reported MF as a novel inhibitor of ATPase and microtubules-gliding activities …

Combined 3D-QSAR, molecular docking and molecular dynamics study on the benzimidazole inhibitors targeting HCV NS5B polymerase

Z Wang, Z Chen, J Li, J Huang, C Zheng… - Journal of Biomolecular …, 2020 - Taylor & Francis
The hepatitis C virus (HCV)-infected population has continued to grow during recent years,
and novel HCV antiviral agents are urgently needed. In this work, a combined theoretical …

Synthesis, characterization and biological evaluation of novel benzimidazole derivatives

K Mahmood, Z Akhter, MA Asghar, B Mirza… - Journal of …, 2020 - Taylor & Francis
In search of achieving less toxic and more potent chemotherapeutics, three novel
heterocyclic benzimidazole derivatives: 2-(1H-benzo [d] imidazol-2-yl)-4-chlorophenol …

Synthesis and characterization of heterobimetallic SnIV–CuII/ZnII complexes: DFT studies, cleavage potential and cytotoxic activity

M Afzal, M Usman, HA Al-Lohedan… - Journal of Biomolecular …, 2020 - Taylor & Francis
Abstract Heterobimetallic complexes [Cu (L) Sn (CH 3) 2 (H 2 O)(Cl)](3) and [Zn (L) Sn (CH
3) 2 (H 2 O)(Cl)](4) have been synthesized from their monometallic analogs [Cu (L)(H 2 …

Kolaflavanone, a biflavonoid derived from medicinal plant Garcinia, is an inhibitor of mitotic kinesin Eg5

IMD Alrazi, TH Ogunwa, AO Kolawole… - The Journal of …, 2021 - academic.oup.com
Mitotic kinesin Eg5 remains a validated target in antimitotic therapy because of its essential
role in the formation and maintenance of bipolar mitotic spindles. Although numerous Eg5 …

The Influence of Allostery Governing the Changes in Protein Dynamics Upon Substitution

J Hess - 2023 - tigerprints.clemson.edu
The focus of this research is to investigate the effects of allostery on the function/activity of an
enzyme, human immunodeficiency virus type 1 (HIV-1) protease, using well-defined …