Fighting cancer with microtubule-stabilizing agents: a computational investigation of the complex between β-tubulin and the microtubule-stabilizing, antitumor marine diterpenoid sarcodictyin A (English)
- New search for: Pietra, Francesco
- Further information on Pietra, Francesco:
- https://orcid.org/http://orcid.org/0000-0003-3215-5376
- New search for: Pietra, Francesco
- Further information on Pietra, Francesco:
- https://orcid.org/http://orcid.org/0000-0003-3215-5376
In:
Structural Chemistry
: Computational and Experimental Studies of Chemical and Biological Systems
;
31
, 3
;
927-935
;
2020
- Article (Journal) / Electronic Resource
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Title:Fighting cancer with microtubule-stabilizing agents: a computational investigation of the complex between β-tubulin and the microtubule-stabilizing, antitumor marine diterpenoid sarcodictyin A
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Additional title:Struct Chem
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Contributors:Pietra, Francesco ( author )
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Published in:Structural Chemistry : Computational and Experimental Studies of Chemical and Biological Systems ; 31, 3 ; 927-935
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Publisher:
- New search for: Springer US
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Place of publication:New York
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Publication date:2020-06-01
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Size:9 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 31, Issue 3
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 851
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Design of organic superacids based on triflic and perchloric acid by using DFT-B3LYP calculationsSaeidian, Hamid et al. | 2019
- 861
-
The conformational search, the stability, fragment interaction and resistance to acidic attack of epoxyl-polyurethanes in different solvent mediaAdeniyi, Adebayo A. / Akintayo, Cecilia O. / Akintayo, Emmanuel T. / Conradie, Jeanet et al. | 2019
- 877
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A quest for stable 2,2,9,9-tetrahaloplumbacyclonona-3,5,7-trienylidenes at density functional theoryKoohi, Maryam / Bastami, Hajieh et al. | 2019
- 899
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N-H…O, C-H… O hydrogen-bonded supramolecular frameworks in 4-fluoroanilinium and dicyclohexylaminium picrate saltsKolandaivelu, Saminathan / Rajamoni, Jagan / Kandasamy, Sivakumar et al. | 2019
- 909
-
The effect of chitosan adsorption on the stability characteristics of single- and double-walled boron-nitride nanotubes under compressive force using molecular dynamics simulationsAjori, Shahram / Ameri, Amir / Ansari, Reza et al. | 2019
- 917
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Structural features and N-H…O and O-H…O hydrogen-bonded supramolecular frameworks in 2-methylanilinium hydrogen DL-malate hydrate, 4-methoxyanilinium and 4-methylanilinium hydrogen DL-malate saltsRajamoni, Jagan / Kandasamy, Sivakumar et al. | 2019
- 927
-
Fighting cancer with microtubule-stabilizing agents: a computational investigation of the complex between β-tubulin and the microtubule-stabilizing, antitumor marine diterpenoid sarcodictyin APietra, Francesco et al. | 2019
- 937
-
Theoretical study on the M-H···π interactions between metal hydrides and inorganic benzene $ B_{3} $$ X_{3} $$ H_{3} $(X = O, S, Se)Xie, Pengtao / Sun, Meiyan / Li, Xiaoyan / Zeng, Yanli / Zhang, Xueying et al. | 2019
- 947
-
QSAR models for analgesic activity prediction of terpenes and their derivativesNesterkina, Mariia / Ognichenko, Luidmyla / Shyrykalova, Angela / Kravchenko, Iryna / Kuz’min, Victor et al. | 2019
- 955
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Phase transition in non-centrosymmetric 2-methyl-5-nitroanilinium dihydrogen phosphate: structural, spectroscopic and optical studiesMedviediev, Volodymyr / Baran, Jan / Zaręba, Jan K. / Drozd, Marek / Daszkiewicz, Marek et al. | 2019
- 965
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Kamonolol acetate from Ferula pseudalliacea as AChE inhibitor: in vitro and in silico studiesDastan, Dara / Validi, Samane / Ebadi, Ahmad et al. | 2020
- 975
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An integrated quantum chemical and experimental approach for exploring the structures and properties of insensitive munitions interacting with ions in bulk waterMcAlexander, Harley R. / Giles, Stephen A. / Crouch, Rebecca A. / Peel, Hannah R. / Jones, Stacy / Bednar, Anthony J. / Shukla, Manoj K. et al. | 2020
- 983
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Design, synthesis, evaluation, and molecular dynamic simulation of triclosan mimic diphenyl ether derivatives as antitubercular and antibacterial agentsKhade, Amol B. / Boshoff, Helena I. M. / Arora, Kriti / Vandana, K. E. / Verma, Ruchi / Shenoy, G. Gautham et al. | 2020
- 999
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4-Oxobenzo[d]1,2,3-triazin-pyridinium-phenylacetamide derivatives as new anti-Alzheimer agents: design, synthesis, in vitro evaluation, molecular modeling, and molecular dynamic studyHosseini, Fahimeh / Mohammadi-Khanaposhtani, Maryam / Azizian, Homa / Ramazani, Ali / Tehrani, Maliheh Barazandeh / Nadri, Hamid / Larijani, Bagher / Biglar, Mahmoud / Adibi, Hossein / Mahdavi, Mohammad et al. | 2020
- 1013
-
Intermolecular interactions and charge density distribution of endocrine-disrupting molecules (xenoestrogens) with ERα: QM/MM perspectiveChinnasamy, Kalaiarasi / Poomani, Kumaradhas et al. | 2020
- 1029
-
Acceptor tuning effect on TPA-based organic efficient sensitizers for optoelectronic applications—quantum chemical investigationArunkumar, Ammasi / Shanavas, Shajahan / Acevedo, Roberto / Anbarasan, Ponnusamy Munusamy et al. | 2020
- 1043
-
Exploration of nitroimidazoles as radiosensitizers: application of multilayered feature selection approach in QSAR modelingDe, Priyanka / Bhattacharyya, Dhananjay / Roy, Kunal et al. | 2020
- 1057
-
Investigation of manganese metal coordination in proteins: a comprehensive PDB analysis and quantum mechanical studyS., Udayalaxmi / Gangula, Mohan Rao / K., Ravikiran / P., Ettaiah et al. | 2020
- 1065
-
The structure elucidation of the isomeric mixture of 3-[L-threo-2,3,4-tri -hydroxy-1-(phenyl-hydrazono)butyl] quinoxalin-2(1H)-one in dimethyl sulfoxide solution revisited: experimental and theoretical studyEl-Atawy, Mohamed A. / Hegazi, Abdelrahman H. / Al Khalaf, Mohamed / Amer, Adel et al. | 2020
- 1073
-
A computational study on the potential application of zigzag carbon nanotubes in Mg-ion batteriesAslanzadeh, Saeed Amir et al. | 2020
- 1079
-
Study on relationships between detonation characteristics and molecular structure parameters of hydrocarbon fuelsWang, Yongxu / Liu, Yi / Fan, Baolong / Li, Bin / Xie, Lifeng et al. | 2020
- 1089
-
Theoretical assessment of antioxidant property of polyproponoid and its derivativesAnbazhakan, K. / Sadasivam, K. / Praveena, R. / Salgado, Guillermo / Cardona, Wilson / Mitnik, Daniel Glossman- / Gerli, Lorena et al. | 2020
- 1095
-
An interesting theoretical insight into $ CO_{2} $ capture of phosphonium-based ionic liquids with aprotic heterocyclic anionsAzizi-Toupkanloo, Hossein / Sedighy, Mahbobehsadat et al. | 2020
- 1113
-
Double occupancy of large cavity of diethylamin+methane sH hydrate at low pressuresChashchin, Denis D. / Manakov, Andrey Y. / Yunoshev, Alexander S. et al. | 2020
- 1119
-
Hückel theory and distinguishing between isospectral molecules: 1,4-divinylbenzene and 2-phenylbutadiene, and tetramethylenemethane and cyclobutadiene + carbonLucker, Joshua A. M. / Liebman, Joel F. et al. | 2020
- 1125
-
Density functional theory study on two D-π-A-type organic dyes containing different anchoring groups for dye-sensitized solar cellsElroby, Shaaban A. / Jedidi, Abdesslem et al. | 2020
- 1137
-
Quantum-chemical calculations on graphitic carbon nitride (g-$ C_{3} $$ N_{4} $) single-layer nanostructures: polymeric slab vs. quantum dotGhashghaee, Mohammad / Azizi, Zahra / Ghambarian, Mehdi et al. | 2020
- 1149
-
In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR, molecular docking, and molecular dynamics simulationsAbdizadeh, Rahman / Hadizadeh, Farzin / Abdizadeh, Tooba et al. | 2020
- 1183
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Author Correction to: In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR, molecular docking, and molecular dynamics simulationsAbdizadeh, Rahman / Hadizadeh, Farzin / Abdizadeh, Tooba et al. | 2020
- 1185
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The substituent effect of π-electron delocalization in N-methylamino-nitropyridine derivatives: crystal structure and DFT calculationsSołtysiak, Paulina / Dziuk, Błażej / Zarychta, Bartosz / Ejsmont, Krzysztof / Spaleniak, Grzegorz et al. | 2020
- 1197
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New crystal structures of fluorinated α-aminophosphonic acid analogues of phenylglycineWanat, Weronika / Dziuk, Błażej / Kafarski, Paweł et al. | 2020
- 1211
-
Correction to: New crystal structures of fluorinated α-aminophosphonic acid analogues of phenylglycineWanat, Weronika / Dziuk, Błażej / Kafarski, Paweł et al. | 2020
- 1217
-
An unexpected and unusual V(5+)10 cluster containing oxygen bridges as well as six bidentate acetylacetonatesArslan, Evrim / Lalancette, Roger A. / Bernal, Ivan et al. | 2020
- 1223
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Quantum chemical studies, vibrational analysis, molecular dynamics and docking calculations of some ent-kaurane diterpenes from Annona vepretorum: a theoretical approach to promising anti-tumor moleculesCosta, Renyer A. / da Silva, Jonathas Nunes / Oliveira, Kelson M. T. / Dutra, Lívia M. / Costa, Emmanoel V. et al. | 2020
- 1245
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Author Correction to: Quantum chemical studies, vibrational analysis, molecular dynamics and docking calculations of some ent-kaurane diterpenes from Annona vepretorum: a theoretical approach to promising anti-tumor moleculesCosta, Renyer A. / da Silva, Jonathas Nunes / Oliveira, Kelson M. T. / Dutra, Lívia M. / Costa, Emmanoel V. et al. | 2020