Works matching IS 13811991 AND DT 2021 AND VI 25 AND IP 1

Results: 41

The evaluation of 1-tetralone and 4-chromanone derivatives as inhibitors of monoamine oxidase.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 491, doi. 10.1007/s11030-020-10143-w

By:

Cloete, Stephanus J.;
N'Da, Clarina I.;
Legoabe, Lesetja J.;
Petzer, Anél;
Petzer, Jacobus P.

Publication type:

Article

Synthesis of 1,2,3-triazolyl nucleoside analogues and their antiviral activity.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 473, doi. 10.1007/s11030-020-10141-y

By:

Andreeva, Olga V.;
Garifullin, Bulat F.;
Zarubaev, Vladimir V.;
Slita, Alexander V.;
Yesaulkova, Iana L.;
Saifina, Liliya F.;
Shulaeva, Marina M.;
Belenok, Maya G.;
Semenov, Vyacheslav E.;
Kataev, Vladimir E.

Publication type:

Article

Synthesis of 3,3′-methylenebis(4-hydroxyquinolin-2(1H)-ones) of prospective anti-COVID-19 drugs.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 461, doi. 10.1007/s11030-020-10140-z

By:

Aly, Ashraf A.;
Hassan, Alaa A.;
Mohamed, Asmaa H.;
Osman, Esraa M.;
Bräse, Stefan;
Nieger, Martin;
Ibrahim, Mahmoud A. A.;
Mostafa, Sara M.

Publication type:

Article

Synthesis, characterization, antibacterial evaluation, 2D-QSAR modeling and molecular docking studies for benzocaine derivatives.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 435, doi. 10.1007/s11030-020-10138-7

By:

Taha, Israa;
Keshk, Eman M.;
Khalil, Abdel-Galil M.;
Fekri, Ahmed

Publication type:

Article

Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 421, doi. 10.1007/s11030-020-10135-w

By:

Patel, Chirag N.;
Kumar, Sivakumar Prasanth;
Pandya, Himanshu A.;
Rawal, Rakesh M.

Publication type:

Article

Therapeutics for COVID-19: from computation to practices—where we are, where we are heading to.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 625, doi. 10.1007/s11030-020-10134-x

By:

Ojha, Probir Kumar;
Kar, Supratik;
Krishna, Jillella Gopala;
Roy, Kunal;
Leszczynski, Jerzy

Publication type:

Article

Most recent strategies targeting estrogen receptor alpha for the treatment of breast cancer.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 603, doi. 10.1007/s11030-020-10133-y

By:

Kumar, Nitish;
Gulati, Harmandeep Kaur;
Sharma, Aakriti;
Heer, Shilpa;
Jassal, Anupmjot Kaur;
Arora, Lovenish;
Kaur, Simranpreet;
Singh, Atamjit;
Bhagat, Kavita;
Kaur, Arshmeet;
Singh, Harbinder;
Singh, Jatinder Vir;
Bedi, Preet Mohinder Singh

Publication type:

Article

Unravelling the anticancer potency of 1,2,4-triazole-N-arylamide hybrids through inhibition of STAT3: synthesis and in silico mechanistic studies.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 403, doi. 10.1007/s11030-020-10131-0

By:

Turky, Abdallah;
Bayoumi, Ashraf H.;
Sherbiny, Farag F.;
El-Adl, Khaled;
Abulkhair, Hamada S.

Publication type:

Article

Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 383, doi. 10.1007/s11030-020-10130-1

By:

Kanhed, Ashish M.;
Patel, Dushyant V.;
Teli, Divya M.;
Patel, Nirav R.;
Chhabria, Mahesh T.;
Yadav, Mange Ram

Publication type:

Article

Discovery of new small-molecule cyclin-dependent kinase 6 inhibitors through computational approaches.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 367, doi. 10.1007/s11030-020-10120-3

By:

Luo, Xiaojiao;
Zhao, Yu;
Tang, Pan;
Du, Xingkai;
Li, Feng;
Wang, Qingying;
Li, Rong;
He, Jun

Publication type:

Article

Structure-based drug design, synthesis and screening of MmaA1 inhibitors as novel anti-TB agents.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 351, doi. 10.1007/s11030-020-10107-0

By:

Veeravarapu, Hymavathi;
Malkhed, Vasavi;
Mustyala, Kiran Kumar;
Vadija, Rajender;
Malikanti, Ramesh;
Vuruputuri, Uma;
Muthyala, Murali Krishna Kumar

Publication type:

Article

Ellagic acid and human cancers: a systems pharmacology and docking study to identify principal hub genes and main mechanisms of action.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 333, doi. 10.1007/s11030-020-10101-6

By:

Cheshomi, Hamid;
Bahrami, Ahmad Reza;
Matin, Maryam M.

Publication type:

Article

Flexible multidentate benzyldiamine derivatives with high affinity for β-amyloid in cerebral amyloid angiopathy.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 525, doi. 10.1007/s11030-020-10098-y

By:

He, Yujia;
Fu, Tingting;
Li, Yuying;
Xue, Weiwei;
Cui, Mengchao;
Wang, Liang;
Niu, Mengda;
Peng, Zhiping;
Jia, Jianhua

Publication type:

Article

Application of nitrogen-rich porous organic polymer for the solid-phase synthesis of 2-amino-4H-benzo[b]pyran scaffolds using ball milling process.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 323, doi. 10.1007/s11030-020-10092-4

By:

Zaharani, Lia;
Khaligh, Nader Ghaffari;
Mihankhah, Taraneh;
Johan, Mohd Rafie

Publication type:

Article

Investigation of the cytotoxicity of bioinspired coumarin analogues towards human breast cancer cells.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 307, doi. 10.1007/s11030-020-10082-6

By:

Gkionis, Leonidas;
Kavetsou, Eleni;
Kalospyros, Alexandros;
Manousakis, Dimitris;
Garzon Sanz, Miguel;
Butterworth, Sam;
Detsi, Anastasia;
Tirella, Annalisa

Publication type:

Article

Design, synthesis, and molecular docking studies of new [1,2,4]triazolo[4,3-a]quinoxaline derivatives as potential A2B receptor antagonists.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 291, doi. 10.1007/s11030-020-10070-w

By:

Ezzat, Hany G.;
Bayoumi, Ashraf H.;
Sherbiny, Farag F.;
El-Morsy, Ahmed M.;
Ghiaty, Adel;
Alswah, Mohamed;
Abulkhair, Hamada S.

Publication type:

Article

Rational approaches for the design of various GABA modulators and their clinical progression.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 551, doi. 10.1007/s11030-020-10068-4

By:

Bhagat, Kavita;
Singh, Jatinder V.;
Pagare, Piyusha P.;
Kumar, Nitish;
Sharma, Anchal;
Kaur, Gurinder;
Kinarivala, Nihar;
Gandu, Srinivasa;
Singh, Harbinder;
Sharma, Sahil;
Bedi, Preet Mohinder S.

Publication type:

Article

Synthesis, biological evaluation, theoretical investigations, docking study and ADME parameters of some 1,4-bisphenylhydrazone derivatives as potent antioxidant agents and acetylcholinesterase inhibitors.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 279, doi. 10.1007/s11030-020-10064-8

By:

Amine Khodja, Imene;
Boulebd, Houssem

Publication type:

Article

Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 263, doi. 10.1007/s11030-020-10063-9

By:

Abbasi-Radmoghaddam, Zeinab;
Riahi, Siavash;
Gharaghani, Sajjad;
Mohammadi-Khanaposhtanai, Mohammad

Publication type:

Article

Polarizability: a promising descriptor to study chemical–biological interactions.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 249, doi. 10.1007/s11030-020-10062-w

By:

Tandon, Hiteshi;
Ranjan, Prabhat;
Chakraborty, Tanmoy;
Suhag, Vandana

Publication type:

Article

Synthetic strategies, SAR studies, and computer modeling of indole 2 and 3-carboxamides as the strong enzyme inhibitors: a review.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 535, doi. 10.1007/s11030-020-10061-x

By:

Chehardoli, Gholamabbas;
Bahmani, Asrin

Publication type:

Article

Interaction between piperine and genes associated with sciatica and its mechanism based on molecular docking technology and network pharmacology.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 233, doi. 10.1007/s11030-020-10055-9

By:

Yu, Jiu-wang;
Yuan, Hong-wei;
Bao, Li-dao;
Si, Leng-ge

Publication type:

Article

Molecular docking studies, biological evaluation and synthesis of novel 3-mercapto-1,2,4-triazole derivatives.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 223, doi. 10.1007/s11030-020-10050-0

By:

Ghanaat, Javad;
Khalilzadeh, Mohammad A.;
Zareyee, Daryoush

Publication type:

Article

Diversity-oriented synthesis and antifungal activities of novel pimprinine derivative bearing a 1,3,4-oxadiazole-5-thioether moiety.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 205, doi. 10.1007/s11030-020-10048-8

By:

Song, Zi-Long;
Zhu, Yun;
Liu, Jing-Rui;
Guo, Shu-Ke;
Gu, Yu-Cheng;
Han, Xinya;
Dong, Hong-Qiang;
Sun, Qi;
Zhang, Wei-Hua;
Zhang, Ming-Zhi

Publication type:

Article

Antibacterial evaluation and molecular docking studies of pyrazole–thiosemicarbazones and their pyrazole–thiazolidinone conjugates.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 191, doi. 10.1007/s11030-020-10046-w

By:

Ebenezer, Oluwakemi;
Singh-Pillay, Ashona;
Koorbanally, Neil A.;
Singh, Parvesh

Publication type:

Article

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

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 171, doi. 10.1007/s11030-020-10037-x

By:

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

Publication type:

Article

Design, synthesis and antifungal activity of (E)-3-acyl-5-(methoxyimino)-1,5-dihydrobenzo[e][1,2]oxazepin-4(3H)-one analogues.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 159, doi. 10.1007/s11030-020-10035-z

By:

Yang, Dongyan;
Wang, Haixia;
Fan, Zhijin;
Li, Zhengming;
Zhou, Shuang;
Hao, Zesheng;
Lv, You;
Kalinina, Tatiana A.;
Glukhareva, Tatiana V.

Publication type:

Article

Targeting the menaquinol binding loop of mycobacterial cytochrome bd oxidase.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 517, doi. 10.1007/s11030-020-10034-0

By:

Harikishore, Amaravadhi;
Chong, Sherilyn Shi Min;
Ragunathan, Priya;
Bates, Roderick W.;
Grüber, Gerhard

Publication type:

Article

Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity, and in silico studies on ibuprofen derivatives.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 143, doi. 10.1007/s11030-019-10032-x

By:

Seraj, Faiza;
Kanwal;
Khan, Khalid Mohammed;
Khan, Ajmal;
Ali, Muhammad;
Khalil, Ruqaiya;
Ul-Haq, Zaheer;
Hameed, Shehryar;
Taha, Muhammad;
Salar, Uzma;
Perveen, Shahnaz

Publication type:

Article

A facile and efficient multicomponent ultrasound-assisted "on water" synthesis of benzodiazepine ring.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 131, doi. 10.1007/s11030-019-10031-y

By:

Maury, Suresh Kumar;
Kumar, Dhirendra;
Kamal, Arsala;
Singh, Himanshu Kumar;
Kumari, Savita;
Singh, Sundaram

Publication type:

Article

A catalyst-free approach to synthesis of spiroacenaphthylene-pyranopyrazole derivatives in water media.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 121, doi. 10.1007/s11030-019-10030-z

By:

Amiri, Zeinab;
Bayat, Mohammad

Publication type:

Article

Electro-organic synthesis of tetrahydroimidazo[1,2-a]pyridin-5(1H)-one via a multicomponent reaction.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 509, doi. 10.1007/s11030-019-10029-6

By:

Asghariganjeh, Mohammad Reza;
Mohammadi, Ali Asghar;
Tahanpesar, Elham;
Rayatzadeh, Ayeh;
Makarem, Somayeh

Publication type:

Article

Expedient synthesis of novel antibacterial hydrazono-4-thiazolidinones under catalysis of a natural-based binary ionic liquid.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 109, doi. 10.1007/s11030-019-10028-7

By:

Mirakmahaleh, Maedeh Saeedi;
Rad-Moghadam, Kurosh;
Kefayati, Hassan;
Falakro, Soroush

Publication type:

Article

Regioselective and stereoselective synthesis of epithiomethanoiminoindeno[1,2-b]furan-3-carbonitrile: heterocyclic [3.3.3]propellanes.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 99, doi. 10.1007/s11030-019-10027-8

By:

Hassan, Alaa A.;
Mohamed, Nasr K.;
Aly, Ashraf A.;
Tawfeek, Hendawy N.;
Bräse, Stefan;
Nieger, Martin

Publication type:

Article

Predictive QSAR modeling for the antioxidant activity of natural compounds derivatives based on Monte Carlo method.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 87, doi. 10.1007/s11030-019-10026-9

By:

Ahmadi, Shahin;
Ghanbari, Hosein;
Lotfi, Shahram;
Azimi, Neda

Publication type:

Article

Fe3O4@C@OSO3H as an efficient, recyclable magnetic nanocatalyst in Pechmann condensation: green synthesis, characterization, and theoretical study.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 67, doi. 10.1007/s11030-019-10025-w

By:

Samiei, Zahra;
Soleimani-Amiri, Somayeh;
Azizi, Zahra

Publication type:

Article

Dihydroquinoline derivative as a potential anticancer agent: synthesis, crystal structure, and molecular modeling studies.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 55, doi. 10.1007/s11030-019-10024-x

By:

Vaz, W. F.;
Custodio, J. M. F.;
D'Oliveira, G. D. C.;
Neves, B. J.;
Junior, P. S. C.;
Filho, J. T. M.;
Andrade, C. H.;
Perez, C. N.;
Silveira-Lacerda, E. P.;
Napolitano, H. B.

Publication type:

Article

Novel amide derivatives of 3-phenylglutaric acid as potent soluble epoxide hydrolase inhibitors.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 45, doi. 10.1007/s11030-019-10023-y

By:

Rezaee, Elham;
Amrolah, Somayeh Minaei;
Nazari, Maryam;
Tabatabai, Sayyed Abbas

Publication type:

Article

Unexpected regio- and stereoselective [4 + 3] cycloaddition reaction of azomethine ylides with benzylidene thiazolidinediones: synthesis of pharmacologically active spiroindoline oxazepine derivatives and theoretical study.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 29, doi. 10.1007/s11030-019-10022-z

By:

Zahedifar, Mahboobeh;
Pouramiri, Behjat;
Ezzati Ghadi, Fereshteh;
Razavi, Razieh;
Ramzani Ghara, Abdollah

Publication type:

Article

Identification and molecular modeling of new quinolin-2-one thiosemicarbazide scaffold with antimicrobial urease inhibitory activity.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 13, doi. 10.1007/s11030-019-10021-0

By:

Elbastawesy, Mohammed A. I.;
El-Shaier, Yaseen A. M. M.;
Ramadan, Mohamed;
Brown, Alan B.;
Aly, Ashraf A.;
Abuo-Rahma, Gamal El-Din A.

Publication type:

Article

Molecular modeling of a series of dehydroquinate dehydratase type II inhibitors of Mycobacterium tuberculosis and design of new binders.

Published in:

Molecular Diversity, 2021, v. 25, n. 1, p. 1, doi. 10.1007/s11030-019-10020-1

By:

Miranda, Paulo H. de S.;
Lourenço, Estela M. G.;
Morais, Alexander M. S.;
de Oliveira, Pedro I. C.;
Silverio, Priscilla S. de S. N.;
Jordão, Alessandro K.;
Barbosa, Euzébio G.

Publication type:

Article