Works matching IS 13811991 AND DT 2023 AND VI 27 AND IP 1

Results: 35

Evaluation of tea (Camellia sinensis L.) phytochemicals as multi-disease modulators, a multidimensional in silico strategy with the combinations of network pharmacology, pharmacophore analysis, statistics and molecular docking.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 487, doi. 10.1007/s11030-022-10437-1

By:

Nag, Anish;
Dhull, Nikhil;
Gupta, Ashmita

Publication type:

Article

Discovery of adapalene and dihydrotachysterol as antiviral agents for the Omicron variant of SARS-CoV-2 through computational drug repurposing.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 463, doi. 10.1007/s11030-022-10440-6

By:

Fidan, Ozkan;
Mujwar, Somdutt;
Kciuk, Mateusz

Publication type:

Article

Efficient and green synthesis of novel hexahydro-5H-thiazolo[2',3':2,3]pyrimido[4,5-b]quinoline derivatives.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 477, doi. 10.1007/s11030-022-10439-z

By:

Tabibi, Tooba;
Esmaeili, Abbas Ali

Publication type:

Article

Computational design of MmpL3 inhibitors for tuberculosis therapy.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 357, doi. 10.1007/s11030-022-10436-2

By:

Chaitra, R.;
Gandhi, Rohit;
Jayanna, N.;
Satyanath, Sachin;
Pavadai, Parasuraman;
Murahari, Manikanta

Publication type:

Article

Identification of potential andrographolide-based drug candidate against Keap1-Nrf2 pathway through rigorous cheminformatics screening.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 341, doi. 10.1007/s11030-022-10435-3

By:

Jain, Priyanka;
Sudandira Doss, C.

Publication type:

Article

Discovery of new PKN2 inhibitory chemotypes via QSAR-guided selection of docking-based pharmacophores.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 443, doi. 10.1007/s11030-022-10434-4

By:

Al-Sha'er, Mahmoud A.;
Basheer, Haneen A.;
Taha, Mutasem O.

Publication type:

Article

Insight into potent TLR2 inhibitors for the treatment of disease caused by Mycoplasma pneumoniae based on machine learning approaches.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 371, doi. 10.1007/s11030-022-10433-5

By:

Ishfaq, Muhammad;
Rahman, Ziaur;
Aamir, Muhammad;
Ali, Ihsan;
Guan, Yurong;
Hu, Zhihua

Publication type:

Article

Nano-CuFe<sub>2</sub>O<sub>3</sub>-catalyzed green synthesis of novel quinazolinone–tetrazole hybrids as anti-cancer agents.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 425, doi. 10.1007/s11030-022-10432-6

By:

Kommula, Dileep;
Chintakunta, Praveen Kumar;
Garikapati, Koteswararao;
Murty, M. S. R.

Publication type:

Article

Synthesis of bis(ylidene) cyclohexanones and their antifungal activity against selected plant pathogenic fungi.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 281, doi. 10.1007/s11030-022-10431-7

By:

da Silva, Ueveton Pimentel;
Ferreira, Bruno Wesley;
de Sousa, Bianca Lana;
Barreto, Robert Weingart;
Martins, Felipe Terra;
de A. Neto, João Honorato;
Vaz, Boniek Gontijo;
da Silva, Rodolfo Rodrigues;
Martins, Thaís Viana Fialho;
de Oliveira Mendes, Tiago Antônio;
Varejão, Eduardo Vinícius Vieira

Publication type:

Article

Molecular dynamics, MMGBSA, and docking studies of natural products conjugated to tumor-targeted peptide for targeting BRAF V600E and MERTK receptors.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 389, doi. 10.1007/s11030-022-10430-8

By:

Lambo, Dominic J.;
Lebedenko, Charlotta G.;
McCallum, Paige A.;
Banerjee, Ipsita A.

Publication type:

Article

Unraveling the molecular mechanism of l-menthol against cervical cancer based on network pharmacology, molecular docking and in vitro analysis.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 323, doi. 10.1007/s11030-022-10429-1

By:

Sidhu, Harsimran;
Gautam, Lalit Kumar;
Capalash, Neena

Publication type:

Article

New N- and C-modified RGD-hemorphins as potential biomedical application on Ti-surface materials: synthesis, characterization and antinociceptive activity.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 263, doi. 10.1007/s11030-022-10428-2

By:

Georgieva, Stela;
Todorov, Petar;
Nikolov, Spas;
Dzhambazova, Elena;
Peneva, Petia;
Assenov, Borislav;
Pechlivanova, Daniela

Publication type:

Article

Recent advances in the green synthesis of Betti bases and their applications: a review.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 543, doi. 10.1007/s11030-022-10427-3

By:

Iftikhar, Ramsha;
Kamran, Muhammad;
Iftikhar, Aleesha;
Parveen, Sadia;
Naeem, Naila;
Jamil, Nazia

Publication type:

Article

One-pot multicomponent synthesis of benzophenazine tethered tetrahydropyridopyrimidine derivatives.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 313, doi. 10.1007/s11030-022-10426-4

By:

Darakshan;
Parvin, Tasneem

Publication type:

Article

Proteochemometrics modeling for prediction of the interactions between caspase isoforms and their inhibitors.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 249, doi. 10.1007/s11030-022-10425-5

By:

Bastami, Zahra;
Sheikhpour, Razieh;
Razzaghi, Parvin;
Ramazani, Ali;
Gharaghani, Sajjad

Publication type:

Article

Palladium(0)-catalyzed aryne annulation: a powerful strategy for the synthesis of thio-bridged compounds.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 299, doi. 10.1007/s11030-022-10424-6

By:

Morja, Mayur I.;
Chikhalia, Kishor H.

Publication type:

Article

Design, synthesis, and biological evaluation of 4-(1H-1,2,3-triazol-1-yl)benzamides as HSP90 inhibitors.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 239, doi. 10.1007/s11030-022-10423-7

By:

He, Tingting;
Zhu, Shulei;
Lu, Wei

Publication type:

Article

Hydroxytriazenes incorporating sulphonamide derivatives: evaluation of antidiabetic, antioxidant, anti-inflammatory activities, and computational study.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 223, doi. 10.1007/s11030-022-10420-w

By:

Chauhan, Laxmi K.;
Chopra, Jaishri;
Vanangamudi, Murugesan;
Tripathi, Indra P.;
Bhargava, Amit;
Goswami, Ajay K.;
Baroliya, Prabhat K.

Publication type:

Article

Domino synthesis of 5-aminoimidazoles from Strecker multicomponent adducts via ytterbium-promoted isocyanide insertion/5-exo-dig cyclization.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 511, doi. 10.1007/s11030-022-10418-4

By:

Cannalire, Rolando;
Russo, Camilla;
Luciano, Paolo;
Cerra, Bruno;
Gioiello, Antimo;
Brunelli, Francesca;
Tron, Gian Cesare;
Giustiniano, Mariateresa

Publication type:

Article

Antibacterial natural products from microbial and fungal sources: a decade of advances.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 517, doi. 10.1007/s11030-022-10417-5

By:

Mohan, Sangeetha;
Ajay Krishna, M. S.;
Chandramouli, Manasa;
Keri, Rangappa S.;
Patil, Siddappa A.;
Ningaiah, Srikantamurthy;
Somappa, Sasidhar B.

Publication type:

Article

Synthesis, carbonic anhydrase inhibition, anticancer activity, and molecular docking studies of 1,3,4-oxadiazole derivatives.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 193, doi. 10.1007/s11030-022-10416-6

By:

Vanjare, Balasaheb D.;
Choi, Nam Gyu;
Eom, Young Seok;
Raza, Hussain;
Hassan, Mubashir;
Lee, Ki Hwan;
Kim, Song Ja

Publication type:

Article

Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 81, doi. 10.1007/s11030-022-10415-7

By:

Fan, Liming;
Feng, Shuai;
Wang, Ting;
Ding, Xinli;
An, Xinxin;
Wang, Zhen;
Zhou, Kun;
Wang, Minjuan;
Zhai, Xifeng;
Li, Yang

Publication type:

Article

Design, synthesis, and molecular modeling of heterodimer and inhibitors of α-amylase as hypoglycemic agents.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 209, doi. 10.1007/s11030-022-10414-8

By:

Singh, Ved Prakash;
Nidhar, Manisha;
Yadav, Pratima;
Kumar, Ranjeet;
Sonker, Priyanka;
Tewari, Ashish Kumar

Publication type:

Article

NaH-promoted one-pot synthesis of 5-amidoimidazoles from arylamines, carbon disulfide and isocyanides.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 135, doi. 10.1007/s11030-022-10413-9

By:

Luo, Jie;
Zhang, Yichan;
Yan, Qiuxia;
Yang, Guo;
Zhang, Yaohong;
Wang, Hai

Publication type:

Article

Novel (Z)/(E)-1,2,4-triazole derivatives containing oxime ether moiety as potential ergosterol biosynthesis inhibitors: design, preparation, antifungal evaluation, and molecular docking.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 145, doi. 10.1007/s11030-022-10412-w

By:

Sun, Shengxin;
Yan, Jinghua;
Tai, Lang;
Chai, Jianqi;
Hu, Haoran;
Han, Ling;
Lu, Aimin;
Yang, Chunlong;
Chen, Min

Publication type:

Article

Bismuth-catalyzed arylation of ethyl glyoxylate with aniline via N–H insertion.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 167, doi. 10.1007/s11030-022-10411-x

By:

Riyaz, Mohd. Aamir Bin;
Premkumar, G.;
Swu, Toka

Publication type:

Article

A novel nonlinear time-varying sigmoid transfer function in binary whale optimization algorithm for descriptors selection in drug classification.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 71, doi. 10.1007/s11030-022-10410-y

By:

Mohd Yusof, Norfadzlia;
Muda, Azah Kamilah;
Pratama, Satrya Fajri;
Abraham, Ajith

Publication type:

Article

Mesoporous epoxidized soybean oil-supported copper-based magnetic nanocatalyst and amberlite-supported azide as a green and efficient catalytic system for 1,2,3-triazole synthesis.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 177, doi. 10.1007/s11030-022-10408-6

By:

Dehkordi, S. Saeid Saei;
Jafari, Abbas Ali;
Albadi, Jalal;
Samimi, Heshmat Allah

Publication type:

Article

A one-pot synthesis 3-alkoxycarbonyl-3,4-dihydro-2H-pyran-2-ones from vinylidene melderum's acids, dialkyl acetylenedicarboxylates, and simple alcohols.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 125, doi. 10.1007/s11030-022-10407-7

By:

Khandan, Samira;
Yavari, Issa;
Azizian, Javad

Publication type:

Article

Defective ORF8 dimerization in SARS-CoV-2 delta variant leads to a better adaptive immune response due to abrogation of ORF8-MHC1 interaction.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 45, doi. 10.1007/s11030-022-10405-9

By:

Chaudhari, Armi M.;
Singh, Indra;
Joshi, Madhvi;
Patel, Amrutlal;
Joshi, Chaitanya

Publication type:

Article

An in silico and in vitro integrated analysis method to reveal the curative mechanisms and pharmacodynamic substances of Bufei granule on chronic obstructive pulmonary disease.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 103, doi. 10.1007/s11030-022-10404-w

By:

Ma, Yuan-yuan;
Li, Rong;
Shang, Zhi-xian;
Liu, Wei;
Jiao, Xin-yi;
Liang, Liu-yi;
Liu, Rui;
Li, Zheng

Publication type:

Article

Oxidative coupling of dibenzyl disulfide with amines catalyzed by quinoline-bromine complex: access to thioamides.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 159, doi. 10.1007/s11030-022-10403-x

By:

Rezapour, Mehdi;
Abbasi, Mohammad

Publication type:

Article

Survey reaction of 2-amino-N-(aryl) benzimidamides with ninhydrin in different conditions and investigation of reaction mechanism using density functional theory (DFT).

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 59, doi. 10.1007/s11030-022-10400-0

By:

Darehkordi, Ali;
Mohammadi, Marziyeh;
Sayyahi, Kobra;
Ahmadi, Zahra;
Rahmani, Fariba;
Nejadkhorasani, Farzaneh

Publication type:

Article

Targeting UNC-51-like kinase 1 and 2 by lignans to modulate autophagy: possible implications in metastatic colorectal cancer.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 27, doi. 10.1007/s11030-022-10399-4

By:

Sain, Arindam;
Kandasamy, Thirukumaran;
Naskar, Debdut

Publication type:

Article

Identification of promising multi-targeting inhibitors of obesity from Vernonia amygdalina through computational analysis.

Published in:

Molecular Diversity, 2023, v. 27, n. 1, p. 1, doi. 10.1007/s11030-022-10397-6

By:

Ogunyemi, Oludare M.;
Gyebi, Gideon A.;
Ibrahim, Ibrahim M.;
Esan, Adewale M.;
Olaiya, Charles O.;
Soliman, Mohameed M.;
Batiha, Gaber El-Saber

Publication type:

Article