Works matching IS 13811991 AND DT 2022 AND VI 26 AND IP 4

Results: 30

Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2295, doi. 10.1007/s11030-021-10334-z

By:

Lokhande, Kiran Bharat;
Ghosh, Payel;
Nagar, Shuchi;
Venkateswara Swamy, K.

Publication type:

Article

Design and synthesis of novel N-[3-(benzimidazol-2-ylamino)phenyl]amine and N-[3-(benzoxazol-2-ylamino)phenyl]amine derivatives as potential anticancer agents.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2269, doi. 10.1007/s11030-021-10333-0

By:

Kumar, Honnavalli Yogish;
Murumkar, Prashant R.;
Srinivasan, B. P.;
Pawar, Vijay;
Yadav, M. R.

Publication type:

Article

A review on the synthesis of heteroannulated quinolones and their biological activities.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2341, doi. 10.1007/s11030-021-10332-1

By:

Elshaier, Yaseen A. M. M.;
Aly, Ashraf A.;
El-Aziz, Mohamed Abd;
Fathy, Hazem M.;
Brown, Alan B.;
Ramadan, Mohamed

Publication type:

Article

Chemoinformatic analysis of alkaloids isolated from Peganum genus.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2257, doi. 10.1007/s11030-021-10331-2

By:

Bayazeid, Omer;
Nasibova, Tohfa

Publication type:

Article

Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulation.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2243, doi. 10.1007/s11030-021-10330-3

By:

Joshi, Tushar;
Sharma, Priyanka;
Mathpal, Shalini;
Joshi, Tanuja;
Maiti, Priyanka;
Nand, Mahesha;
Pande, Veena;
Chandra, Subhash

Publication type:

Article

Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2231, doi. 10.1007/s11030-021-10329-w

By:

Agyapong, Odame;
Miller, Whelton A.;
Wilson, Michael D.;
Kwofie, Samuel K.

Publication type:

Article

Synthesis of functionalized pyrrole derivatives via diverse cyclization of azomethine ylide and olefins.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2221, doi. 10.1007/s11030-021-10328-x

By:

Sayebani, Saman;
Eshghi, Hossein;
Naeimabadi, Maryam

Publication type:

Article

New fused pyrroles with rA1/A2A antagonistic activity as potential therapeutics for neurodegenerative disorders.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2211, doi. 10.1007/s11030-021-10327-y

By:

van Vuuren, Nadia Janse;
van Rensburg, Helena D. Janse;
Terre'Blanche, Gisella;
Legoabe, Lesetja J.

Publication type:

Article

Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2189, doi. 10.1007/s11030-021-10325-0

By:

Patel, Rohit;
Prajapati, Jignesh;
Rao, Priyashi;
Rawal, Rakesh M.;
Saraf, Meenu;
Goswami, Dweipayan

Publication type:

Article

Benzyl-para-di-[5-methyl-4-(n-octylamino) pyrimidin-2(1H)one] as an interferon beta (IFN-β) modulator.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2175, doi. 10.1007/s11030-021-10324-1

By:

Trifonov, Lena;
Yurchenko, Mariya;
Skjesol, Astrid;
Cohen, Guy;
Espevik, Terje;
Korshin, Edward E.;
Grøvdal, Lene Melsæther;
Husebye, Harald;
Gruzman, Arie

Publication type:

Article

Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2159, doi. 10.1007/s11030-021-10323-2

By:

Zhao, Dan;
Sun, Lu;
Zhong, Shijun

Publication type:

Article

Montmorillonite clay-based heterogenous catalyst for the synthesis of nitrogen heterocycle organic moieties: a review.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2311, doi. 10.1007/s11030-021-10322-3

By:

Chellapandi, Thangapandi;
Madhumitha, Gunabalan

Publication type:

Article

Synthesis and insecticidal activity of novel 1,2,4-triazole derivatives containing trifluoroacetyl moieties.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2149, doi. 10.1007/s11030-021-10321-4

By:

Zhao, Fenghai;
Tang, Xianjun;
Liu, Min;
Qin, Zhaohai;
Li, Jia-Qi;
Xiao, Yumei

Publication type:

Article

Identifying potential inhibitors of biofilm-antagonistic proteins to promote biofilm formation: a virtual screening and molecular dynamics simulations approach.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2135, doi. 10.1007/s11030-021-10320-5

By:

Mukhi, Mayur;
Vishwanathan, A. S.

Publication type:

Article

Employing of Fe3O4/CuO/ZnO@MWCNT MNCs in the solvent-free synthesis of new cyanopyrroloazepine derivatives and investigation of biological activity.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2121, doi. 10.1007/s11030-021-10319-y

By:

Zare Davijani, Neda;
Kia-Kojoori, Reza;
Abdolmohammadi, Shahrzad;
Sadegh-Samiei, Sepehr

Publication type:

Article

Novel ocotillol-derived lactone derivatives: design, synthesis, bioactive evaluation, SARs and preliminary antibacterial mechanism.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2103, doi. 10.1007/s11030-021-10318-z

By:

Zhang, Ziyi;
Zeng, Xianming;
Zhang, Shengyu;
Zhou, Yunyun;
Zhou, Zhiwen

Publication type:

Article

DNA interaction, anticancer, cytotoxicity and genotoxicity studies with potential pyrazine-bipyrazole dinuclear µ-oxo bridged Au(III) complexes.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2085, doi. 10.1007/s11030-021-10317-0

By:

Kanthecha, Darshana N.;
Bhatt, Bhupesh S.;
Patel, Mohan N.;
Vaidya, Foram U.;
Pathak, Chandramani

Publication type:

Article

Biosynthesis of Cu/KF/Clinoptilolite@MWCNTs nanocomposite and its application as a recyclable nanocatalyst for the synthesis of new Schiff base of benzoxazine derivatives and reduction of organic pollutants.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2069, doi. 10.1007/s11030-021-10316-1

By:

Hamedani, Naghmeh Faal;
Hargalani, Fariba Zamani;
Rostami-Charati, Faramarz

Publication type:

Article

Synthesis of 1,2,3,triazole modified analogues of hydrochlorothiazide via click chemistry approach and in-vitro α-glucosidase enzyme inhibition studies.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2049, doi. 10.1007/s11030-021-10314-3

By:

Siddiqui, Hina;
Baheej, M. A. A.;
Ullah, Saeed;
Rizvi, Fazila;
Iqbal, Shazia;
Haniffa, Haroon M.;
Wahab, Atia-tul;
Choudhary, M. Iqbal

Publication type:

Article

A one-pot synthesis of piperidinium spirooxindoline-pyridineolates and indole-substituted pyridones in aqueous or ethanol medium.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2039, doi. 10.1007/s11030-021-10313-4

By:

Mirzaei, Faezeh;
Bayat, Mohammad;
Nasri, Shima

Publication type:

Article

Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2025, doi. 10.1007/s11030-021-10312-5

By:

Méndez-Álvarez, Domingo;
Herrera-Mayorga, Verónica;
Juárez-Saldivar, Alfredo;
Paz-González, Alma D.;
Ortiz-Pérez, Eyra;
Bandyopadhyay, Debasish;
Pérez-Sánchez, Horacio;
Rivera, Gildardo

Publication type:

Article

Solvent-free synthesis of new spiropyrroloindole compounds using Fe3O4/TiO2/MWCNTs MNCs via multicomponent reactions: assessment of new spiropyrroloindole antioxidant activity.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 2011, doi. 10.1007/s11030-021-10311-6

By:

Hezarcheshmeh, Nasrin Karami;
Azizian, Javad

Publication type:

Article

Design and synthesis of phenoxymethybenzoimidazole incorporating different aryl thiazole-triazole acetamide derivatives as α-glycosidase inhibitors.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 1995, doi. 10.1007/s11030-021-10310-7

By:

Nasli Esfahani, Anita;
Iraji, Aida;
Alamir, Amir;
Moradi, Shahram;
Asgari, Mohammad Sadegh;
Hosseini, Samanesadat;
Mojtabavi, Somayeh;
Nasli-Esfahani, Ensieh;
Faramarzi, Mohammad Ali;
Bandarian, Fatemeh;
Larijani, Bagher;
Hamedifar, Haleh;
Hajimiri, Mir Hamed;
Mahdavi, Mohammad

Publication type:

Article

PANI-Fe3O4@ZnO nanocomposite as magnetically recoverable organometallic nanocatalyst promoted synthesis of new Azo chromene dyes and evaluation of their antioxidant and antimicrobial activities.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 1983, doi. 10.1007/s11030-021-10309-0

By:

Abdolmohammadi, Shahrzad;
Hossaini, Zinatossadat;
Poor Heravi, Mohammad Reza

Publication type:

Article

Morita–Baylis–Hillman adducts derived from thymol: synthesis, in silico studies and biological activity against Giardia lamblia.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 1969, doi. 10.1007/s11030-021-10308-1

By:

Xavier, Francisco J. S.;
Lira, Andressa B.;
Verissimo, Gabriel C.;
de S. Saraiva, Fernanda S.;
de Oliveira Filho, Abrahão A.;
de Souza-Fagundes, Elaine M.;
de F. F. M. Diniz, Margareth;
Gomes, Maria A.;
Castro, Aleff C.;
Silva, Fábio P. L.;
Lima-Junior, Claudio G.;
Vasconcellos, Mário L. A. A.

Publication type:

Article

Progress on the natural asphalt applications as a new class of carbonious heterogeneous support; synthesis of Na[Pd-NAS] and study of its catalytic activity in the formation of carbon–carbon bonds.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 1957, doi. 10.1007/s11030-021-10306-3

By:

Kohzadi, Homa;
Soleiman-Beigi, Mohammad

Publication type:

Article

Correction to: Exploration of chalcones and related heterocycle compounds as ligands of adenosine receptors: therapeutics development.

Published in:

2022

By:

Matthee, Chrisna;
Terre'Blanche, Gisella;
Legoabe, Lesetja J.;
van Rensburg, Helena D. Janse

Publication type:

Correction Notice

Identification of tyrosine kinase inhibitors from Panax bipinnatifidus and Panax pseudoginseng for RTK—HER2 and VEGFR2 receptors, by in silico approach.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 1933, doi. 10.1007/s11030-021-10304-5

By:

Paul, Dipayan;
Mahanta, Saurov;
Tag, Hui;
Das, Sanjib Kumar;
Das Gupta, Debmalya;
Tanti, Bhaben;
Ananthan, Rajendran;
Das, Ranjan;
Jambhulkar, Sanjay;
Hui, Pallabi Kalita

Publication type:

Article

Design, synthesis and molecular docking of new [1,2,4] triazolo[4,3-a]quinoxaline derivatives as anticancer agents targeting VEGFR-2 kinase.

Published in:

Molecular Diversity, 2022, v. 26, n. 4, p. 1915, doi. 10.1007/s11030-021-10303-6

By:

Alsaif, Nawaf A.;
Elwan, Alaa;
Alanazi, Mohammed M.;
Obaidullah, Ahmad J.;
Alanazi, Wael A.;
Alasmari, Abdullah F.;
Albassam, Hussam;
Mahdy, Hazem A.;
Taghour, Mohammed S.

Publication type:

Article

Correction to: Novel metal complexes containing 6‑methylpyridine‑2‑carboxylic acid as potent α‑glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking.

Published in:

2022

By:

Avcı, Davut;
Altürk, Sümeyye;
Sönmez, Fatih;
Tamer, Ömer;
Başoğlu, Adil;
Atalay, Yusuf;
Kurt, Belma Zengin;
Dege, Necmi

Publication type:

Correction Notice

Works matching IS 13811991 AND DT 2022 AND VI 26 AND IP 4

Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation.

Design and synthesis of novel N-[3-(benzimidazol-2-ylamino)phenyl]amine and N-[3-(benzoxazol-2-ylamino)phenyl]amine derivatives as potential anticancer agents.

A review on the synthesis of heteroannulated quinolones and their biological activities.

Chemoinformatic analysis of alkaloids isolated from Peganum genus.

Computational investigation of drug bank compounds against 3C-like protease (3CL<sup>pro</sup>) of SARS-CoV-2 using deep learning and molecular dynamics simulation.

Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors.

Synthesis of functionalized pyrrole derivatives via diverse cyclization of azomethine ylide and olefins.

New fused pyrroles with rA1/A2A antagonistic activity as potential therapeutics for neurodegenerative disorders.

Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation.

Benzyl-para-di-[5-methyl-4-(n-octylamino) pyrimidin-2(1H)one] as an interferon beta (IFN-β) modulator.

Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach.

Montmorillonite clay-based heterogenous catalyst for the synthesis of nitrogen heterocycle organic moieties: a review.

Synthesis and insecticidal activity of novel 1,2,4-triazole derivatives containing trifluoroacetyl moieties.

Identifying potential inhibitors of biofilm-antagonistic proteins to promote biofilm formation: a virtual screening and molecular dynamics simulations approach.

Employing of Fe<sub>3</sub>O<sub>4</sub>/CuO/ZnO@MWCNT MNCs in the solvent-free synthesis of new cyanopyrroloazepine derivatives and investigation of biological activity.

Novel ocotillol-derived lactone derivatives: design, synthesis, bioactive evaluation, SARs and preliminary antibacterial mechanism.

DNA interaction, anticancer, cytotoxicity and genotoxicity studies with potential pyrazine-bipyrazole dinuclear µ-oxo bridged Au(III) complexes.

Biosynthesis of Cu/KF/Clinoptilolite@MWCNTs nanocomposite and its application as a recyclable nanocatalyst for the synthesis of new Schiff base of benzoxazine derivatives and reduction of organic pollutants.

Synthesis of 1,2,3,triazole modified analogues of hydrochlorothiazide via click chemistry approach and in-vitro α-glucosidase enzyme inhibition studies.

A one-pot synthesis of piperidinium spirooxindoline-pyridineolates and indole-substituted pyridones in aqueous or ethanol medium.

Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda.

Solvent-free synthesis of new spiropyrroloindole compounds using Fe<sub>3</sub>O<sub>4</sub>/TiO<sub>2</sub>/MWCNTs MNCs via multicomponent reactions: assessment of new spiropyrroloindole antioxidant activity.

Design and synthesis of phenoxymethybenzoimidazole incorporating different aryl thiazole-triazole acetamide derivatives as α-glycosidase inhibitors.

PANI-Fe<sub>3</sub>O<sub>4</sub>@ZnO nanocomposite as magnetically recoverable organometallic nanocatalyst promoted synthesis of new Azo chromene dyes and evaluation of their antioxidant and antimicrobial activities.

Morita–Baylis–Hillman adducts derived from thymol: synthesis, in silico studies and biological activity against Giardia lamblia.

Progress on the natural asphalt applications as a new class of carbonious heterogeneous support; synthesis of Na[Pd-NAS] and study of its catalytic activity in the formation of carbon–carbon bonds.

Correction to: Exploration of chalcones and related heterocycle compounds as ligands of adenosine receptors: therapeutics development.

Identification of tyrosine kinase inhibitors from Panax bipinnatifidus and Panax pseudoginseng for RTK—HER2 and VEGFR2 receptors, by in silico approach.

Design, synthesis and molecular docking of new [1,2,4] triazolo[4,3-a]quinoxaline derivatives as anticancer agents targeting VEGFR-2 kinase.

Correction to: Novel metal complexes containing 6‑methylpyridine‑2‑carboxylic acid as potent α‑glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking.