Molecular Diversity

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Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulations
Molecular Diversity - - 2022
Tejas M. Dhameliya, Prinsa R. Nagar, Normi D. Gajjar
A practical synthesis of a high-loading solid-supported IBX amide for the oxidation of alcohols
Molecular Diversity - Tập 9 - Trang 341-351 - 2005
Patrick Lecarpentier, Stefano Crosignani, Bruno Linclau
A straightforward three-step synthesis of a solid-supported IBX amide resin was achieved using inexpensive and commercially available 2-iodobenzoic acid chloride and Merrifield resin. A high apparent loading of 0.63 mmol g−1 was obtained. Oxidation of a range of alcohols to the corresponding carbonyl compounds proved very straightforward using 1.2 equiv of the resin. Recycling of the resin was als...... hiện toàn bộ
Exploring privileged structures: The combinatorial synthesis of cyclic peptides
Molecular Diversity - Tập 5 - Trang 289-304 - 2000
Douglas A. Horton, Gregory T. Bourne, Mark L. Smythe
Head-to-tail cyclic peptides have been reported to bind to multiple, unrelated classesof receptor with high affinity. They may therefore be considered to beprivileged structures. This review outlines the strategies by which bothmacrocyclic cyclic peptides and cyclic dipeptides or diketopiperazines havebeen synthesised in combinatorial libraries. It also briefly outlines someof the biological appli...... hiện toàn bộ
Solvent-free synthesis and anticancer activity evaluation of benzimidazole and perimidine derivatives
Molecular Diversity - - 2018
Anuj Kumar, Somesh Banerjee, Partha Roy, Sham M. Sondhi, Anuj Sharma
New approach for preparation of 2,3,7-trisubstituted 3,4-dihydroisoquinolinone libraries on solid phase
Molecular Diversity - - 2000
Yidong Ni, Viktor Krchnak, Michal Lebl
In an attempt to prepare 7-substituted 3,4-dihydroisoquinolinone family of compounds, we observed an unexpected decarboxylation. The reaction of 4-nitrohomophthalic anhydride with a Schiff base formed on solid support leads to the formation of core structure. LC-MS and 1H NMR analysis confirmed the structure of unexpected intermediate. A library of 38,400 compounds was produced using this new synt...... hiện toàn bộ
Green chemistry approaches to the regioselective synthesis of spiro heterobicyclic rings using iodine as a new and efficient catalyst under solvent-free conditions
Molecular Diversity - Tập 15 - Trang 257-261 - 2010
Dipak Prajapati, Debajyoti Bhuyan, Mukut Gohain, Wenhao Hu
Iodine catalyzes the pseudo four-component reaction of an aldehyde, a urea or thiourea, and cyclic 1,3-dicarbonyl compounds under microwave irradiation in a solvent-free condition to yield various σ symmetric spiro heterobicyclic rings in excellent yields.
Modeling and insights into molecular basis of low molecular weight respiratory sensitizers
Molecular Diversity - Tập 25 - Trang 847-859 - 2020
Xueyan Cui, Rui Yang, Siwen Li, Juan Liu, Qiuyun Wu, Xiao Li
Respiratory sensitization has been considered an important toxicological endpoint, because of the severe risk to human health. A great part of sensitization events were caused by low molecular weight (< 1000) respiratory sensitizers in the past decades. However, there is currently no widely accepted test method that can identify prospective low molecular weight respiratory sensitisers. Herein, we...... hiện toàn bộ
A versatile approach for one-pot synthesis of hybridized quinolines linked to fused N-containing heterocycles in water
Molecular Diversity - - Trang 1-11 - 2023
Atieh Rezvanian, Behnoosh Khodadadi, Sepideh Tafreshi, Pezhman Shiri
Here, highly efficient one-pot protocols for the synthesis of structurally diverse fused N-containing heterocycles containing 2-chloroquinoline employing 1,1-bis(methylsulfanyl)-2-nitroethene, diamines, 2-chloroquinoline-3-carbaldehydes and dimedone/Meldrum's acid in green media in the absence of catalyst are reported. The current report proposes sustainable, simple, four-component and straightfor...... hiện toàn bộ
Antiviral activity evaluation and action mechanism of chalcone derivatives containing phenoxypyridine
Molecular Diversity -
Piao Mao, Xing Li, Bangcan He, Ting Deng, Yong-Mei Qin, Hang Yao, Yi-Zhong An, Wei Xue
Urease: a highly efficient biocatalyst for synthesis of polyhydroquinolines and polyhydroacridines from the ammonia formed in situ
Molecular Diversity - Tập 25 - Trang 2149-2159 - 2020
Gan Zhu, Yiqun Li
Urease, a nickel-dependent enzyme, has a powerful catalytic activity to decompose urea into ammonia via hydrolysis reaction under mild condition. In the present work, urease was employed for the synthesis of two series of polyhydroquinoline and polyhydroacridine derivatives via one-pot condensation of the ammonia generated in situ from urea, aryl aldehydes, and dimedone or ethyl acetoacetate (i.e....... hiện toàn bộ
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