
@article {84074,
	title = {Design and Synthesis of New Tubulin Polymerization Inhibitors Inspired from Combretastatin A-4: An Anticancer Agent},
	journal = {ChemistrySelect},
	volume = {5},
	year = {2020},
	month = {2020/10/08},
	pages = {11560 - 11572},
	abstract = {<p>Abstract A series of 30 small hybrid molecules are synthesized inspired from Combretastatin A-4 (CA-4), where ethylene-bridge of CA-4 is replaced with two five-membered heterocyclic rings, viz. isoxazoline and 1, 2, 3-triazole. These are joined by a methylene linker, with substitutions at A and B ? ring position of CA-4. The new molecular entities have shown significant cytotoxicity to cancer cell from the IC50 0.49??M?3.17??M with 1-((4,5-Dihydro-3-(2,5-dimethoxyphenyl)isoxazol-5-yl)methyl)-4-(4-methoxyphenyl)-1H-1,2,3-triazole displayed IC50 0.422{\textpm}0.07??M for A-549 -lung cancer cell line and IC50 0.498{\textpm}0.03??M for MDA-MB-231-breast cancer cell line. The western blot analysis, confocal staining and also by in?vitro tubulin polymerization assay established the target specificity of the molecules as a tubulin polymerization inhibitor. Molecular docking \&amp; Molecular dynamics studies confirmed the binding interaction patterns of these molecules at the Colchicine binding site of tubulin and have correlated the observed experimental result with variation in structure satisfactorily.</p>
},
	keywords = {Cancer, Click Chemistry, Colchicine binding site, Combretastatin A-4, Medicinal Chemistry},
	isbn = {2365-6549},
	url = {https://doi.org/10.1002/slct.202003170},
	author = {Sharma, Akanksha and Talimarada, Doddabasappa and Yadav, Umesh Prasad and Singh, Nidhi and Reddy, A. Sudharshan and Bag, Debojyoti and Biswas, Krishna and Baidya, Amit and Borale, Asha N and Shinde, Dhananjay and Singh, Sandeep and Holla, Harish}
}
@article {28250,
	title = {Two new substituted polychiral 5, 6-dihydro-alpha-pyrones from Orthosiphon diffusus and molecular docking studies},
	journal = {PHYTOCHEMISTRY LETTERS},
	volume = {22},
	year = {2017},
	month = {12/2017},
	pages = { 21-26},
	abstract = {<p>Chemical investigation on Orthosiphon diffusus lead to isolation of two new substituted polychiral 5, 6-dihydro-alpha-pyrones, orthodiffenes E-F (5-6) which were characterized from the detailed studies of their 1D and 2D NMR spectra. Isolated molecules orthodiffenes E-F (5-6) along with previously isolated, reported orthodiffene A-D (14) molecules were subjected to in silico studies and analysed for anticancer target Topoisomerse I-B - DNA complex. Orthodiffene D and E are giving noteworthy observations while all isolated molecules are showing a pattern of binding in active pocket similar to each other however, different from Camptothecin, an anticancer agent. Orthodiffene A-C have comparable cytotoxicity to Camptothecin, which we have earlier reported.</p>
},
	doi = {10.1016/j.phytol.2017.08.006},
	author = {Holla, Harish and Sharma, Akanksha and Bhat, Pritesh and Shinde, Dhananjay and Das, Biswanath}
}
