Molecular Diversity

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Review on advancements of pyranopyrazole: synthetic routes and their medicinal applications
Molecular Diversity - - Trang 1-48 - 2024
Ashok R. Yadav, Ashishkumar P. Katariya, Anant B. Kanagare, Pramod D. Jawale Patil, Chandrakant K. Tagad, Satish A. Dake, Pratik A. Nagwade, Satish U. Deshmukh
Pyranopyrazoles are among the most distinguished, biologically potent, and exciting scaffolds in medicinal chemistry and drug discovery. Synthesis and design of pyranopyrazoles using functional modifications via multicomponent reactions (MCRs) are thoroughly found in synthetic protocols by forming new C–C, C–N, and C–O bonds. This review aims to focus on the biological importance of pyranopyrazole...... hiện toàn bộ
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
Ionic liquid-supported synthesis of dihydroquinazolines and tetrahydroquinazolines under microwave irradiation
Molecular Diversity - Tập 16 - Trang 241-249 - 2011
Hai-Yuan Hsu, Chih-Chun Tseng, Banrali Matii, Chung-Ming Sun
An efficient microwave-assisted and water-soluble ionic liquid (IL)-supported synthesis of medicinally important dihydro- and tetrahydroquinazolines has been developed. The protocol involves the SN2 substitution reaction of IL-bound 4-bromomethyl-3-nitrobenzoic acid with various primary amines to provide IL-bound 4-((alkylamino) methyl)-3-nitrobenzoate under microwave irradiation. Further elaborat...... hiện toàn bộ
Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review
Molecular Diversity - - 2021
Neetu Tripathi, Manoj Kumar Goshisht, Sanat Kumar Sahu, Charu Arora
Antioxidant and cytotoxic activities of selected salicylidene imines: experimental and computational study
Molecular Diversity - Tập 26 - Trang 3115-3128 - 2022
Jovica Branković, Marios G. Krokidis, Irini Dousi, Kyriakos Papadopoulos, Zorica D. Petrović, Vladimir P. Petrović
Selected salicylidene imines were evaluated for their antioxidant and cytotoxic potentials. Several of them exerted potent scavenging capacity towards ABTS radical and hydrogen peroxide. The insight into the preferable antioxidative mechanism was reached employing density functional theory. In the absence of free radicals, the SPLET mechanism is dominant in polar surroundings, while HAT is prevail...... hiện toàn bộ
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
Ring opening cross-metathesis on solid support: a combinatorial library synthesis of highly functionalized cyclopentanes
Molecular Diversity - Tập 3 - Trang 173-179 - 1997
Jingrong Cao, Gregory D. Cuny, James R. Hauske
Ruthenium catalyzed ring opening cross-metathesis of resin-bound bicyclic alkenes with terminal aryl olefins was utilized for the construction of a combinatorial library containing highly functionalized cyclopentane derivatives. The technology described herein represents a convergent method for the diastereospecific synthesis of unique cyclopentane molecular scaffolds useful for exploratory medici...... hiện toàn bộ
Effective DABCO-catalyzed synthesis of new tetrazolo[1,5-a]pyrimidine analogs
Molecular Diversity - Tập 21 - Trang 865-873 - 2017
Ramin Ghorbani-Vaghei, Azadeh Shahriari, Jafar Mahmoodi, Yaser Maghbooli
In this study, an efficient multicomponent one-pot route is described for the DABCO-catalyzed synthesis of tetrazolo[1,5-a]pyrimidines. This synthesis strategy is based on the reaction of malononitrile and aldehydes with 5-aminotetrazole monohydrate using 1,4-diazabicyclo[2.2.2]octane (DABCO) in i-PrOH under reflux conditions. This protocol is a simple, green, and low-cost technique to prepare new...... hiện toàn bộ
Quantitative structure-activity relationship studies on some series of calcium channel blockers
Molecular Diversity - Tập 8 Số 4 - Trang 357-363 - 2004
Satya P. Gupta, Anupriya Veerman, Priyanka Bagaria
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
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