Search Results - "active site"

A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of <i>S. epidermidis</i> TcaR Inhibitors by Srimai Vuppala, Jaeyoung Kim, Bo-Sun Joo, Ji-Myung Choi, Joonkyung Jang

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In silico analysis of wild-type and mutant KRAS by Frengki Frengki, Dedi Prima Putra, Fatma Sriwahyuni, Daan Khambri, Henni Vanda

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Design, synthesis and SAR studies of novel tacrine derivatives as potent cholinesterase inhibitors by Bhushanarao Dogga, Eeda Koti Reddy, C.S. Sharanya, J. Abhithaj, K.G. Arun, C.S. Ananda Kumar, K.S. Rangappa

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Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. by Juliana Roberta Torini, José Brandão-Neto, Ricardo DeMarco, Humberto D'Muniz Pereira

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Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design by Tomasz Róg, Mykhailo Girych, Alex Bunker

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Roles of Ferredoxin-NADP⁺ Oxidoreductase and Flavodoxin in NAD(P)H-Dependent Electron Transfer Systems by Takashi Iyanagi

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Penambatan Molekuler dan Simulasi Dinamika Molekuler Senyawa Dari Genus Nigella Terhadap Penghambatan Aktivitas Enzim Protease HIV-1 by Muhammad Sulaiman Zubair, Saipul Maulana, Alwiyah Mukaddas

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In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi. by Yen Ting Chen, Linda S Brinen, Iain D Kerr, Elizabeth Hansell, Patricia S Doyle, James H McKerrow, William R Roush

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Gallic Acid as a Non-Selective Inhibitor of α/β-Hydrolase Fold Enzymes Involved in the Inflammatory Process: The Two Sides of the Same Coin by Marcos Hikari Toyama, Airam Rogero, Laila Lucyane Ferreira de Moraes, Gustavo Antônio Fernandes, Caroline Ramos da Cruz Costa, Mariana Novo Belchor, Agatha Manzi De Carli, Marcos Antônio de Oliveira

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Antimicrobial Evaluation of Sulfonamides after Coupling with Thienopyrimidine Coplanar Structure by Elshaymaa I. Elmongy, Wejdan S. Alanazi, Alhanouf I. Aldawsari, Asma A. Alfaouri, Reem Binsuwaidan

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Identification of novel multitargeted PPAR&alpha;/&gamma;/&delta; pan agonists by core hopping of rosiglitazone by Wang XJ, Zhang J, Wang SQ, Xu WR, Cheng XC, Wang RL

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Dipeptidyl Peptidase IV Inhibitory Activity of Berberine and Mangiferin: An In Silico Approach by Ipseeta Ray Mohanty, Selvaa Kumar, Rajesh Suman

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Title not available by Md. Anayet Hasan, S. M. Alauddin, Mohammad Al Amin, Suza Mohammad Nur, Adnan Mannan

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Iguratimod, an allosteric inhibitor of macrophage migration inhibitory factor (MIF), prevents mortality and oxidative stress in a murine model of acetaminophen overdose by Joshua Bloom, Georgios Pantouris, Mingzhu He, Bayan Aljabari, Lopa Mishra, Ramu Manjula, Andrew Parkins, Elias J. Lolis, Yousef Al-Abed

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Design and synthesis of some novel triazine-tyrosine hybrids as potential agents for the treatment of multiple sclerosis by Sajjad Saeidi, Parvin Asadi, Farshid Hassanzadeh, Mehdi Aliomrani, Ghadam Ali Khodarahmi

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HIV-1 Gag Non-Cleavage Site PI Resistance Mutations Stabilize Protease/Gag Substrate Complexes In Silico via a Substrate-Clamp by Gary S. Laco

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Crambescin C1 Acts as A Possible Substrate of iNOS and eNOS Increasing Nitric Oxide Production and Inducing In Vivo Hypotensive Effect by Juan A. Rubiolo, Juan A. Rubiolo, Emilio Lence, Concepción González-Bello, María Roel, José Gil-Longo, Manuel Campos-Toimil, Manuel Campos-Toimil, Eva Ternon, Olivier P. Thomas, Antonio González-Cantalapiedra, Henar López-Alonso, Mercedes R. Vieytes, Luis M. Botana

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In silico Docking Studies of Fingolimod and S1P1 Agonists by Alexander Marciniak, Sara M. Camp, Joe G. N. Garcia, Robin Polt

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Biological evaluation, docking and molecular dynamic simulation of some novel diaryl urea derivatives bearing quinoxalindione moiety by Sedighe Sadeghian-Rizi, Ghadamali Ali Khodarahmi, Amirhossein Sakhteman, Ali Jahanian-Najafabadi, Mahboubeh Rostami, Mahmoud Mirzaei, Farshid Hassanzadeh

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Molecular docking investigation of anti-inflammatory herbal compounds as potential LOX-5 and COX-2 inhibitors by Liliia Vyshnevska, Hanna I. Severina, Yuliya Prokopenko, Alexander Shmalko

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