Docking

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1
Molecular Docking and Cogitation Validate Mefenamic Acid Prodrugs as Human Cyclooxygenase-2 Inhibitor.
Shah, Kamal;Mujwar, Somdutt;Gupta, Jeetendra Kumar;Shrivastava, Sushant K;Mishra, Pradeep;
2019 assay and drug development technologies DOI: 10.1089/adt.2019.943 284 views
2
In vitro Biological Estimation of [1,2,3]triazolo[4,5-d]pyrimidine Derivatives as Anti-breast Cancer Agent: DFT, QSAR and Docking Studies.
Kolawole, Oyebamiji Abel;Banjo, Semire;
2019 current pharmaceutical biotechnology DOI: 10.2174/138920102066... 342 views
3
Copper-Catalyzed Three-Component Reaction of Alkynes, TMSN, and Ethers: Regiocontrollable Synthesis of N- and N-Oxyalkylated 1,2,3-Triazoles.
Bao, Pengli;Yue, Huilan;Meng, Na;Zhao, Xiaohui;Li, Jiangsheng;Wei, Wei;
2019 Organic letters DOI: 10.1021/acs.orglett.... 291 views
4
Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines.
Bansode, Prakash;Anantacharya, R;Dhanavade, Maruti;Kamble, Subodh;Barale, Sagar;Sonawane, Kailas;Sat...
2019 Computational biology and chemistry DOI: S1476-9271(18)30377-... 320 views
5
'Stealth' corporate innovation: an emerging threat for therapeutic drug development.
Mastellos, Dimitrios C;Blom, Anna M;Connolly, E Sander;Daha, Mohamed R;Geisbrecht, Brian V;Ghebrehiw...
2019 Nature Immunology DOI: 10.1038/s41590-019-0... 328 views
6
Horizontal acquisition of a patchwork Calvin cycle by symbiotic and free-living Campylobacterota (formerly Epsilonproteobacteria).
Assié, Adrien;Leisch, Nikolaus;Meier, Dimitri V;Gruber-Vodicka, Harald;Tegetmeyer, Halina E;Meyerdie...
2019 The ISME journal DOI: 10.1038/s41396-019-0... 354 views
7
Identification of 2CS-CHX operon signature of chlorhexidine tolerance among .
Duarte, Bárbara;Pereira, Ana P;Freitas, Ana R;Coque, Teresa M;Hammerum, Anette M;Hasman, Henrik;Antu...
2019 Applied and environmental microbiology DOI: AEM.01589-19 292 views
8
Immunization with proline rich region of pneumococcal surface protein A has no role in protection against Streptococcus pneumoniae serotype 19F.
Girgis, Michael M;Abd El-Aziz, Abeer M;Hassan, Ramadan;Youssif M, Ali;
2019 Microbial pathogenesis DOI: S0882-4010(19)31419-... 373 views
9
Confounding by indication of the safety of de-escalation in community-acquired pneumonia: A simulation study embedded in a prospective cohort.
van Heijl, Inger;Schweitzer, Valentijn A;Boel, C H Edwin;Oosterheert, Jan Jelrik;Huijts, Susanne M;D...
2019 PloS one DOI: 10.1371/journal.pone... 285 views
10
Design And Molecular Docking Studies Of Some 2, 3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG.
B, Amrute Bhavesh;D, Amrutkar Rakesh;R, Tambe Santosh;
2019 current computer-aided drug design DOI: 10.2174/157340991566... 523 views
11
Synthesis, anti-inflammatory, bactericidal activities and docking studies of novel 1,2,3-triazoles derived from ibuprofen using click chemistry.
Angajala, Kishore Kumar;Vianala, Sunitha;Macha, Ramesh;Raghavender, M;Thupurani, Murali Krishna;Path...
2016 SpringerPlus DOI: 10.1186/s40064-016-2... 285 views
12
Novel histone deacetylase inhibitors bearing a 4-piperidin-4-yl-triazole scaffold as antitumor agents.
Wang, Yan;Su, Li;Wang, Qiang;Zhang, Li;Luan, Yepeng;
2019 drug development research DOI: 10.1002/ddr.21603 268 views
13
1,2,4-Triazole-based benzothiazole/benzoxazole derivatives: Design, synthesis, p38α MAP kinase inhibition, anti-inflammatory activity and molecular docking studies.
Tariq, Sana;Kamboj, Payal;Alam, Ozair;Amir, Mohd;
2018 Bioorganic chemistry DOI: S0045-2068(18)30536-... 430 views
14
Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors.
Coşkun, Göknil Pelin;Djikic, Teodora;Hayal, Taha Bartu;Türkel, Nezaket;Yelekçi, Kemal;Şahin, Fikrett...
2018 molecules DOI: E1969 261 views
15
Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors.
Zhu, Xuezhen;Wong, Iris L K;Chan, Kin-Fai;Cui, Jiahua;Law, Man Chun;Chong, Tsz Cheung;Hu, Xuesen;Cho...
2019 Journal of medicinal chemistry DOI: 10.1021/acs.jmedchem... 329 views
16
Oral Selinexor-Dexamethasone for Triple-Class Refractory Multiple Myeloma.
Chari, Ajai;Vogl, Dan T;Gavriatopoulou, Maria;Nooka, Ajay K;Yee, Andrew J;Huff, Carol A;Moreau, Phil...
2019 The New England journal of medicine DOI: 10.1056/NEJMoa190345... 301 views
17
Recent advances in the synthetic and medicinal perspective of quinolones: A review.
Dhiman, Prashant;Arora, Nidhi;Thanikachalam, Punniyakoti Veeraveedu;Monga, Vikramdeep;
2019 Bioorganic chemistry DOI: S0045-2068(19)30801-... 303 views
18
Chitosan/hydroxyapatite composite bone tissue engineering scaffolds with dual and decoupled therapeutic ion delivery: copper and strontium.
Gritsch, Lukas;Maqbool, Muhammad;Mouriño, Viviana;Ciraldo, Francesca E;Cresswell, Mark;Jackson, Phil...
2019 journal of materials chemistry b DOI: 10.1039/c9tb00897g 377 views
19
Novel fatty acid-thiadiazole derivatives as potential antimycobacterial agents.
Mali, Jaishree K;Sutar, Yogesh B;Pahelkar, Akshata R;Verma, Preeti M;Telvekar, Vikas N;
2019 Chemical biology & drug design DOI: 10.1111/cbdd.13634 208 views
20
Antifungal effects of a 1,3,4-thiadiazole derivative determined by cytochemical and vibrational spectroscopic studies.
Chudzik, Barbara;Bonio, Katarzyna;Dabrowski, Wojciech;Pietrzak, Daniel;Niewiadomy, Andrzej;Olender,...
2019 PloS one DOI: 10.1371/journal.pone... 221 views

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molecular modeling in silico lipinski's rule nsaids mefenamic acid 2 1 Triazole DFT qsar 3]triazolo[4 5-d]pyrimidine analogues pyrimidine Cancer Cytotoxicity doxorubicin admet cdk7 protein conformer