docking studies

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1
A New Class of β-Pyrrolidino-1,2,3-Triazole Derivatives as β-Adrenergic Receptor Inhibitors: Synthesis, Pharmacological, and Docking Studies.
Easwaramoorthi, Kaliyappan;Rajendran, Jeya A;Rao, Kella Chennakesava;Balachandran, Chandrasekar;Arun...
2019 Molecules (Basel, Switzerland) DOI: E3501 234 views
2
Discovery of novel West Nile Virus protease inhibitor based on isobenzonafuranone and triazolic derivatives of eugenol and indan-1,3-dione scaffolds.
de Oliveira, André S;Gazolla, Poliana A R;Oliveira, Ana Flávia C da S;Pereira, Wagner L;de S Viol, L...
2019 PloS one DOI: 10.1371/journal.pone... 246 views
3
Coordination of a triazine ligand with Cu and Ag investigated by spectral, structural, theoretical and docking studies.
Marandi, Farzin;Moeini, Keyvan;Krautscheid, Harald;
2019 acta crystallographica section c, structural chemi... DOI: 10.1107/S20532296190... 239 views
4
Acute and 30-day oral toxicity studies of a novel coccidiostat - ethanamizuril.
Xiao, Wenlong;Wang, Xiaoyang;Wang, Chunmei;Wang, Mi;Fei, Chenzhong;Zhang, Lifang;Xue, Feiqun;Wang, G...
2019 toxicology research DOI: 10.1039/c9tx00073a 318 views
5
Pore-size dominated electrochemical properties of covalent triazine frameworks as anode materials for K-ion batteries.
Li, Shu-Ying;Li, Wen-Hao;Wu, Xing-Long;Tian, Yuyang;Yue, Jieyu;Zhu, Guangshan;
2019 Chemical science DOI: 10.1039/c9sc02340b 291 views
6
Design, synthesis, docking, and antimicrobial evaluation of some novel pyrazolo[1,5-] pyrimidines and their corresponding cycloalkane ring-fused derivatives as purine analogs.
Abdallah, Amira E M;Elgemeie, Galal H;
2018 Drug design, development and therapy DOI: 10.2147/DDDT.S159310 501 views
7
Amino acids conjugated quinazolinone-Schiff's bases as potential antimicrobial agents: Synthesis, SAR and molecular docking studies.
Rakesh, K P;Kumara, H K;Ullas, B J;Shivakumara, J;Channe Gowda, D;
2019 Bioorganic chemistry DOI: S0045-2068(19)30541-... 239 views
8
Molecular Docking Studies, In silico ADMET Screening of Some Novel Thiazolidine Substituted Oxadiazoles as Sirtuin 3 Activators Targeting Parkinson's Disease
Subramnian, Gomathy;Rajagopal, Kalirajan;Sherin, Farhath;;
2020 research journal of pharmacy and technology 212 views
9
New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors
Karaman, Nurcan;S\icak, Yusuf;Ta\csk\in-Tok, Tu\ugba;\"Ozt\"urk, Mehmet;Karak\"u\cc\"uk-\.Iyido\ugan...
2016 European journal of medicinal chemistry 584 views
10
Synthesis, evaluation and molecular modelling studies of 2-(carbazol-3-yl)-2-oxoacetamide analogues as a new class of potential pancreatic lipase inhibitors.
Sridhar, S N C;Ginson, George;Venkataramana Reddy, P O;Tantak, Mukund P;Kumar, Dalip;Paul, Atish T;
2017 bioorganic & medicinal chemistry DOI: S0968-0896(16)31220-... 364 views
11
Novel fluorine-containing chiral hydrazide-hydrazones: Design, synthesis, structural elucidation, antioxidant and anticholinesterase activity, and in silico studies.
Sıcak, Yusuf;Oruç-Emre, Emine Elçin;Öztürk, Mehmet;Taşkın-Tok, Tuğba;Karaküçük-Iyidoğan, Ayşegül;
2019 chirality DOI: 10.1002/chir.23102 325 views
12
Flavanone glycosides inhibit β-site amyloid precursor protein cleaving enzyme 1 and cholinesterase and reduce Aβ aggregation in the amyloidogenic pathway.
Ali, Md Yousof;Jannat, Susoma;Edraki, Najmeh;Das, Sucharita;Chang, Won Kyu;Kim, Hyun Chul;Park, Seon...
2019 Chemico-biological interactions DOI: S0009-2797(19)30594-... 334 views
13
Synthesis, biological evaluation and docking studies of chalcone and flavone analogs as antioxidants and acetylcholinesterase inhibitors
Díaz-Rubio L.
2019 applied sciences (switzerland) DOI: 10.3390/app9030410 339 views
14
Corrigendum: Ursolic Acid Hydrazide Based Organometallic Complexes: Synthesis, Characterization, Antibacterial, Antioxidant, and Docking Studies
Jabeen, Muafia;Ahmad, Sajjad;Shahid, Khadija;Sadiq, Abdul;Rashid, Umer;
2018 Frontiers in chemistry 507 views
15
Supramolecular assemblies of phenyl-pyridyl-triazolopyridine and β-cyclodextrin as sensor of divalent cations in aqueous solution.
Jullian, Carolina;Fernández-Sandoval, Samuel;Celis-Barros, Cristian;Abarca, Belén;Ballesteros, Rafae...
2015 Carbohydrate polymers DOI: 10.1016/j.carbpol.20... 212 views
16
FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine.
Almutairi, Maha S;Alanazi, Amer M;Al-Abdullah, Ebtehal S;El-Emam, Ali A;Pathak, Shilendra K;Srivasta...
2015 spectrochimica acta part a, molecular and biomolec... DOI: 10.1016/j.saa.2014.1... 340 views
17
Novel agonists of benzodiazepine receptors: design, synthesis, binding assay and pharmacological evaluation of 1,2,4-triazolo[1,5-a]pyrimidinone and 3-amino-1,2,4-triazole derivatives.
Faizi, Mehrdad;Dabirian, Sara;Tajali, Hamed;Ahmadi, Fatemeh;Zavareh, Elham Rezaee;Shahhosseini, Sora...
2015 bioorganic & medicinal chemistry DOI: 10.1016/j.bmc.2014.1... 288 views
18
Effects of urea, metal ions and surfactants on the binding of baicalein with bovine serum albumin
Roy, Atanu Singha;Dinda, Amit Kumar;Pandey, Nitin Kumar;Dasgupta, Swagata;
2016 journal of pharmaceutical analysis 299 views
19
Fluorescence and Docking Studies of the Interaction between Human Serum Albumin and Pheophytin
Chaves, Otávio Augusto;Amorim, Ana Paula de O.;Castro, Larissa H. E.;Sant’Anna, Carlos Mauricio R.;O...
2015 molecules 297 views
20
Biological Evaluation and Docking Studies of Synthetic Oleanane-type Triterpenoids.
Ortega-Muñoz, Mariano;Rodríguez-Serrano, Fernando;De Los Reyes-Berbel, Eduardo;Mut-Salud, Nuria;Hern...
2018 ACS omega DOI: 10.1021/acsomega.8b0... 285 views

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Antimicrobial activity anticancer activity β-adrenoceptors β–pyrrolidino-1,2,3-triazole silver crystal structure dft calculations copper triazine antibacterial antifungal 2-(hydroxymethylene)-1-cycloalkanones 2-formylcycloalkanones 5-aminopyrazoles pyrazolo[1,5-a]pyrimidines Antimicrobial amino acids quinazolinone schiff’s bases