Prediction of Severity of Drug-Drug Interactions Caused by Enzyme Inhibition and Activation

por Dmitriev, Alexander, Filimonov, Dmitry, Lagunin, Alexey, Karasev, Dmitry, Pogodin, Pavel, Rudik, Anastasiya, Poroikov, Vladimir
Publicado en Molecules (2019)

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

por Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.
Publicado en Front Chem (2018)

Combined network pharmacology and virtual reverse pharmacology approaches for identification of potential targets to treat vascular dementia

por Lagunin, Alexey A., Ivanov, Sergey M., Gloriozova, Tatyana A., Pogodin, Pavel V., Filimonov, Dmitry A., Kumar, Sandeep, Goel, Rajesh K.
Publicado en Sci Rep (2020)

In Silico Prediction of Drug–Drug Interactions Mediated by Cytochrome P450 Isoforms

por Dmitriev, Alexander V., Rudik, Anastassia V., Karasev, Dmitry A., Pogodin, Pavel V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.
Publicado en Pharmaceutics (2021)

3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation

por Horishny, Volodymyr, Kartsev, Victor, Matiychuk, Vasyl, Geronikaki, Athina, Anthi, Petrou, Pogodin, Pavel, Poroikov, Vladimir, Ivanov, Marija, Kostic, Marina, Soković, Marina D., Eleftheriou, Phaedra
Publicado en Pharmaceuticals (Basel) (2020)

Antimicrobial Activity of Nitrogen-Containing 5-α-Androstane Derivatives: In Silico and Experimental Studies

por Amiranashvili, Lela, Nadaraia, Nanuli, Merlani, Maia, Kamoutsis, Charalampos, Petrou, Anthi, Geronikaki, Athina, Pogodin, Pavel, Druzhilovskiy, Dmitry, Poroikov, Vladimir, Ciric, Ana, Glamočlija, Jasmina, Sokovic, Marina
Publicado en Antibiotics (Basel) (2020)

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds

por Lagunin, Alexey A., Dubovskaja, Varvara I., Rudik, Anastasia V., Pogodin, Pavel V., Druzhilovskiy, Dmitry S., Gloriozova, Tatyana A., Filimonov, Dmitry A., Sastry, Narahari G., Poroikov, Vladimir V.
Publicado en PLoS One (2018)

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K(i) and IC(50) Values of Antitarget Inhibitors

por Lagunin, Alexey A., Romanova, Maria A., Zadorozhny, Anton D., Kurilenko, Natalia S., Shilov, Boris V., Pogodin, Pavel V., Ivanov, Sergey M., Filimonov, Dmitry A., Poroikov, Vladimir V.
Publicado en Front Pharmacol (2018)

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

por Mansouri, Kamel, Kleinstreuer, Nicole, Abdelaziz, Ahmed M., Alberga, Domenico, Alves, Vinicius M., Andersson, Patrik L., Andrade, Carolina H., Bai, Fang, Balabin, Ilya, Ballabio, Davide, Benfenati, Emilio, Bhhatarai, Barun, Boyer, Scott, Chen, Jingwen, Consonni, Viviana, Farag, Sherif, Fourches, Denis, García-Sosa, Alfonso T., Gramatica, Paola, Grisoni, Francesca, Grulke, Chris M., Hong, Huixiao, Horvath, Dragos, Hu, Xin, Huang, Ruili, Jeliazkova, Nina, Li, Jiazhong, Li, Xuehua, Liu, Huanxiang, Manganelli, Serena, Mangiatordi, Giuseppe F., Maran, Uko, Marcou, Gilles, Martin, Todd, Muratov, Eugene, Nguyen, Dac-Trung, Nicolotti, Orazio, Nikolov, Nikolai G., Norinder, Ulf, Papa, Ester, Petitjean, Michel, Piir, Geven, Pogodin, Pavel, Poroikov, Vladimir, Qiao, Xianliang, Richard, Ann M., Roncaglioni, Alessandra, Ruiz, Patricia, Rupakheti, Chetan, Sakkiah, Sugunadevi, Sangion, Alessandro, Schramm, Karl-Werner, Selvaraj, Chandrabose, Shah, Imran, Sild, Sulev, Sun, Lixia, Taboureau, Olivier, Tang, Yun, Tetko, Igor V., Todeschini, Roberto, Tong, Weida, Trisciuzzi, Daniela, Tropsha, Alexander, Van Den Driessche, George, Varnek, Alexandre, Wang, Zhongyu, Wedebye, Eva B., Williams, Antony J., Xie, Hongbin, Zakharov, Alexey V., Zheng, Ziye, Judson, Richard S.
Publicado en Environ Health Perspect (2020)