5948-75-4Relevant academic research and scientific papers
Amino acid ionic liquid-catalyzed synthesis, anti-Leishmania activity, molecular docking, molecular dynamic simulation, and ADME study of 3,4-dihydropyrimidin-2(1H)-(thio)ones
Patil, Rajendra,Rode, Nitin,Shelar, Amruta,Tantray, Aafaq,Terdale, Santosh
supporting information, (2021/12/22)
The synthesis of 3,4-dihydropyrimidin-2(1H)-(thio)one (DHPM) derivatives involving aromatic aldehyde, β-ketoesters and urea/thiourea using prolinium hydrogen sulfate (ProHSO4) as a catalyst has been studied. A variety of DHPM derivatives were o
Application of design of experiments (Doe) approach for the optimization of phase-transfer catalyzed biginelli dihydropyrimidinone (dhpm) synthesis
Durai Ananda Kumar, T.,Satyanarayana, K.,Subrahmanyam, C. V. S.,Swathi, N.
, p. 520 - 531 (2021/07/25)
The conventional Biginelli synthesis is more cumbersome and produces lower yields. Several improved methods are reported in the literature to replace the Biginelli catalyst. The design of biocompatible organic transformation is a major concern and a versa
Design, Synthesis, and Antiviral activity of 1,2,3,4-Tetrahydropyrimidine derivatives acting as novel entry inhibitors to target at “Phe43 cavity” of HIV-1 gp120
Senapathi, Jagadeesh,Bommakanti, Akhila,Kusuma, Veena,Vangara, Srinivas,Kondapi, Anand K.
, (2021/11/30)
The HIV-1 invasion is initiated with the interaction of viral glycoprotein gp120 and cellular receptor CD4. The binding mechanism reveals two major hotspots involved in gp120-CD4 interaction. The first one is a hydrophobic cavity (Phe43 cavity) on gp120 c
An efficient protocol for the synthesis, biological screening and molecular docking studies of 3,4-dihydropyrimidine-2-one/thione derivatives
Farooq, Hafiz Umar,Fatima, Nighat,Javed, Chaudhary Omer,Manan, Abdul,Mughal, Ehsan Ullah,Muhammad, Syed Aun,Rafique, Hummera,Sadiq, Amina,Sumrra, Sajjad Hussain,Tayyab, Muhammad,Zafar, Muhammad Naveed
, p. 330 - 340 (2020/04/17)
Introduction: Heterocyclic compounds are vital to life, since they constitute the most interesting part of the pharmacologically active drugs. Dihydropyrimidine-2-one/thione (DHPM) as the heterocyclic nucleus is the basic part of the most natural as well
Dihydropyrimidine-2-thiones as Eg5 inhibitors and L-type calcium channel blockers: Potential antitumour dual agents
González-Hernández, Elena,Aparicio, Rubén,Garayoa, Mercedes,Montero, M. José,Sevilla, M. ángeles,Pérez-Melero, Concepción
, p. 1589 - 1598 (2019/09/30)
The use of multitarget drugs has evolved as an alternative to "magic bullets" for the treatment of complex diseases such as cancer, in order to affect simultaneously several targets relevant to the disease. We have designed and synthesized a series of dua
Ionic liquid-assisted synthesis of dihydropyrimidin(thi)one Biginelli adducts and investigation of their mechanism of urease inhibition
Braga, Taniris Cafiero,Silva, Thamara Ferreira,MacIel, Thamilla Maria Silva,Da Silva, Edjan Carlos Dantas,Da Silva-Júnior, Edeildo Ferreira,Modolo, Luzia Valentina,Figueiredo, Isis Martins,Santos, Josué Carinhanha Caldas,De Aquino, Thiago Mendon?a,De Fátima, ?ngelo
, p. 15187 - 15200 (2019/10/08)
Twenty-six Biginelli adducts were synthesized through an ionic liquid-assisted synthesis with up to 92% yield. Sixteen of these Biginelli adducts were then assayed to determine their antiureolytic activity against purified urease from jack beans. The substances BA7-S, BA9-S and BA11-S were shown to be as efficient inhibitors as hydroxyurea, a positive control used in in vitro screening assay against urease. Fluorescence studies revealed that BA7-S, BA9-S, BA11-S and BA5-S possessed high binding constant values of 5.95, 6.72, 4.55, and 4.28 M-1, respectively, while BAS12-S, without substituents, showed a low value of log Kb = 2.16 M-1. In addition, in the most thermodynamically favorable BA5-S and BA7-S urease complexes, the corresponding Biginelli adducts were capable of interacting with the active site of urease through non-ionic interactions, such as hydrophobic interactions, or hydrogen and van der Waals interactions, respectively. In silico studies also supported that the BAs interact with the active site, confirming the fluorescence and kinetic assay studies, which clearly indicate that BA5-S and BA7-S are competitive inhibitors (Ki = 0.96 and 0.57 mM, respectively). In silico studies also showed that the substituents in the aromatic ring interact with Ni atoms to form a stable complex.
Synthesis, conformational analysis and molecular docking studies on three novel dihydropyrimidine derivatives
Sallum, Lóide O.,Vaz, Wesley F.,Borges, Nádia M.,de Campos, Carlos E.M.,Bortoluzzi, Adailton J.,Franco, Chris H.J.,Ramos, Luciana M.,Napolitano, Hamilton B.
, p. 274 - 287 (2019/05/17)
The dihydropyrimidine (DHPM)derivatives I, II and III were synthesized through Biginelli reaction and characterized by X-ray diffraction and vibrational spectroscopic analyses (Raman and FTIR), whereas a conformational study was conducted. The results sho
Eco-friendly synthesis of solid-support bis-dihydropyrimidines and their antimicrobial studies
Bhatia, Sumeet Kaur,Samdhian, Varsha,Kaur, Balbir
, p. 1489 - 1494 (2019/06/11)
This article is aimed at the synthesis of new bis-dihydropyrimidines using solid-support. The reactions were carried out using microwave energy. Presented protocol is associated with higher yields of desired products, easier work-up conditions, less react
Novel pyrimidinic selenourea induces DNA damage, cell cycle arrest, and apoptosis in human breast carcinoma
Barbosa, Flavio A.R.,Siminski, Tamila,Canto, R?mulo F.S.,Almeida, Gabriela M.,Mota, Nádia S.R.S.,Ourique, Fabiana,Pedrosa, Rozangela Curi,Braga, Antonio Luiz
, p. 503 - 515 (2018/06/15)
Novel pyrimidinic selenoureas were synthesized and evaluated against tumour and normal cell lines. Among these, the compound named 3j initially showed relevant cytotoxicity and selectivity for tumour cells. Three analogues of 3j were designed and synthesi
Bis-dihydropyrimidines: Catalyst-free, Microwave-assisted Organic Synthesis, Characterization and In Vitro Biological Screenings
Bhatia, Sumeet Kaur,Samdhian, Varsha,Kaur, Balbir
, p. 935 - 942 (2018/02/23)
In present research, we aim to afford the catalyst-free, greener synthesis of diethyl 2,2′-(1,2-phenylenebis(methylene))bis(sulfanediyl)bis(6-methyl-4-substitutedphenyl-1,4-dihydropyrimidine-5-carboxylate)derivatives via microwave irradiations. The reacti
