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Items: 1 to 50 of 133

1.

Derivatives of Piperazines as Potential Therapeutic Agents for Alzheimer's Disease.

Popugaeva E, Cherniuk D, Zhang H, Postnikova T, Pac K, Fedorova E, Poroikov V, Zaitsev A, Bezprozvanny I.

Mol Pharmacol. 2019 Jan 29. pii: mol.118.114348. doi: 10.1124/mol.118.114348. [Epub ahead of print]

2.

Prediction of Drug-Drug Interactions Related to Inhibition or Induction of Drug-Metabolizing Enzymes.

Dmitriev AV, Lagunin AA, Karasev DА, Rudik AV, Pogodin PV, Filimonov DA, Poroikov VV.

Curr Top Med Chem. 2019 Jan 23. doi: 10.2174/1568026619666190123160406. [Epub ahead of print]

PMID:
30674264
3.

New caffeic acid derivatives as antimicrobial agents: design, synthesis, evaluation and docking.

Merlani M, Barbakadze V, Amiranashvili L, Gogilashvili L, Poroikov V, Petrou A, Geronikaki A, Ciric A, Sokovic JGM.

Curr Top Med Chem. 2019 Jan 22. doi: 10.2174/1568026619666190122152957. [Epub ahead of print]

PMID:
30674263
4.

Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors.

Lagunin AA, Romanova MA, Zadorozhny AD, Kurilenko NS, Shilov BV, Pogodin PV, Ivanov SM, Filimonov DA, Poroikov VV.

Front Pharmacol. 2018 Oct 10;9:1136. doi: 10.3389/fphar.2018.01136. eCollection 2018.

5.

A Computational Approach for the Prediction of HIV Resistance Based on Amino Acid and Nucleotide Descriptors.

Tarasova O, Biziukova N, Filimonov D, Poroikov V.

Molecules. 2018 Oct 24;23(11). pii: E2751. doi: 10.3390/molecules23112751.

6.

Highly oxygenated isoprenoid lipids derived from fungi and fungal endophytes: Origin and biological activities.

Savidov N, Gloriozova TA, Poroikov VV, Dembitsky VM.

Steroids. 2018 Dec;140:114-124. doi: 10.1016/j.steroids.2018.10.006. Epub 2018 Oct 14. Review.

PMID:
30326211
7.

Etoposide-Induced Apoptosis in Cancer Cells Can Be Reinforced by an Uncoupled Link between Hsp70 and Caspase-3.

Sverchinsky DV, Nikotina AD, Komarova EY, Mikhaylova ER, Aksenov ND, Lazarev VF, Mitkevich VA, Suezov R, Druzhilovskiy DS, Poroikov VV, Margulis BA, Guzhova IV.

Int J Mol Sci. 2018 Aug 25;19(9). pii: E2519. doi: 10.3390/ijms19092519.

8.

Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing.

Gaur AS, Nagamani S, Tanneeru K, Druzhilovskiy D, Rudik A, Poroikov V, Narahari Sastry G.

J Biomed Inform. 2018 Sep;85:114-125. doi: 10.1016/j.jbi.2018.08.003. Epub 2018 Aug 6.

PMID:
30092360
9.

Peroxy steroids derived from plant and fungi and their biological activities.

Vil VA, Gloriozova TA, Poroikov VV, Terent'ev AO, Savidov N, Dembitsky VM.

Appl Microbiol Biotechnol. 2018 Jul 10. doi: 10.1007/s00253-018-9211-2. [Epub ahead of print] Review.

PMID:
29987343
10.

Molecular Docking Studies of HIV-1 Resistance to Reverse Transcriptase Inhibitors: Mini-Review.

Tarasova O, Poroikov V, Veselovsky A.

Molecules. 2018 May 21;23(5). pii: E1233. doi: 10.3390/molecules23051233. Review.

11.

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

Pogodin PV, Lagunin AA, Rudik AV, Filimonov DA, Druzhilovskiy DS, Nicklaus MC, Poroikov VV.

Front Chem. 2018 Apr 26;6:133. doi: 10.3389/fchem.2018.00133. eCollection 2018.

12.

Naturally occurring aromatic steroids and their biological activities.

Dembitsky VM, Savidov N, Poroikov VV, Gloriozova TA, Imbs AB.

Appl Microbiol Biotechnol. 2018 Jun;102(11):4663-4674. doi: 10.1007/s00253-018-8968-7. Epub 2018 Apr 21. Review.

PMID:
29680899
13.

HIV Resistance Prediction to Reverse Transcriptase Inhibitors: Focus on Open Data.

Tarasova O, Poroikov V.

Molecules. 2018 Apr 19;23(4). pii: E956. doi: 10.3390/molecules23040956. Review.

14.

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

Lagunin AA, Dubovskaja VI, Rudik AV, Pogodin PV, Druzhilovskiy DS, Gloriozova TA, Filimonov DA, Sastry NG, Poroikov VV.

PLoS One. 2018 Jan 25;13(1):e0191838. doi: 10.1371/journal.pone.0191838. eCollection 2018.

15.

Identification of potential drug targets for treatment of refractory epilepsy using network pharmacology.

Bezhentsev V, Ivanov S, Kumar S, Goel R, Poroikov V.

J Bioinform Comput Biol. 2018 Feb;16(1):1840002. doi: 10.1142/S0219720018400024. Epub 2018 Jan 24.

PMID:
29361895
16.

Pharmacological repositioning of Achyranthes aspera as an antidepressant using pharmacoinformatic tools PASS and PharmaExpert: a case study with wet lab validation.

Goel RK, Gawande DY, Lagunin AA, Poroikov VV.

SAR QSAR Environ Res. 2018 Jan;29(1):69-81. doi: 10.1080/1062936X.2017.1408683. Epub 2017 Dec 19.

PMID:
29256630
17.

Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery.

Nagamani S, Gaur AS, Tanneeru K, Muneeswaran G, Madugula SS, Consortium M, Druzhilovskiy D, Poroikov VV, Sastry GN.

SAR QSAR Environ Res. 2017 Nov;28(11):913-926. doi: 10.1080/1062936X.2017.1402819.

PMID:
29206500
18.

ADVERPred-Web Service for Prediction of Adverse Effects of Drugs.

Ivanov SM, Lagunin AA, Rudik AV, Filimonov DA, Poroikov VV.

J Chem Inf Model. 2018 Jan 22;58(1):8-11. doi: 10.1021/acs.jcim.7b00568. Epub 2017 Dec 22.

PMID:
29206457
19.

QNA-Based Prediction of Sites of Metabolism.

Tarasova O, Rudik A, Dmitriev A, Lagunin A, Filimonov D, Poroikov V.

Molecules. 2017 Dec 1;22(12). pii: E2123. doi: 10.3390/molecules22122123.

20.

A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis.

Janardhan S, John L, Prasanthi M, Poroikov V, Narahari Sastry G.

SAR QSAR Environ Res. 2017 Oct;28(10):815-832. doi: 10.1080/1062936X.2017.1398782.

PMID:
29183232
21.

How good are publicly available web services that predict bioactivity profiles for drug repurposing?

Murtazalieva KA, Druzhilovskiy DS, Goel RK, Sastry GN, Poroikov VV.

SAR QSAR Environ Res. 2017 Oct;28(10):843-862. doi: 10.1080/1062936X.2017.1399448.

PMID:
29183230
22.

Prediction of metabolites of epoxidation reaction in MetaTox.

Rudik AV, Dmitriev AV, Bezhentsev VM, Lagunin AA, Filimonov DA, Poroikov VV.

SAR QSAR Environ Res. 2017 Oct;28(10):833-842. doi: 10.1080/1062936X.2017.1399165. Epub 2017 Nov 20.

PMID:
29157013
23.

[Computational prediction of human immunodeficiency resistance to reverse transcriptase inhibitors].

Tarasova OA, Filimonov DA, Poroikov VV.

Biomed Khim. 2017 Oct;63(5):457-460. doi: 10.18097/PBMC20176305457. Russian.

PMID:
29080881
24.

ROSC-Pred: web-service for rodent organ-specific carcinogenicity prediction.

Lagunin A, Rudik A, Druzhilovsky D, Filimonov D, Poroikov V, Wren J.

Bioinformatics. 2018 Feb 15;34(4):710-712. doi: 10.1093/bioinformatics/btx678.

PMID:
29069300
25.

Recent Advances in the Development of Pharmaceutical Agents for Metabolic Disorders: A Computational Perspective.

Janardhan S, Dubovskaja V, Lagunin A, Rao BV, Sastry GN, Poroikov V.

Curr Med Chem. 2018;25(39):5432-5463. doi: 10.2174/0929867324666171002120647. Review.

PMID:
28969540
26.

Computer-aided prediction and cytotoxicity evaluation of dithiocarbamates of 9,10-anthracenedione as new anticancer agents.

Stasevych M, Zvarych V, Lunin V, Deniz NG, Gokmen Z, Akgun O, Ulukaya E, Poroikov V, Gloriozova T, Novikov V.

SAR QSAR Environ Res. 2017 May;28(5):355-366. doi: 10.1080/1062936X.2017.1323796. Epub 2017 May 19.

PMID:
28524703
27.

MetaTox: Web Application for Predicting Structure and Toxicity of Xenobiotics' Metabolites.

Rudik AV, Bezhentsev VM, Dmitriev AV, Druzhilovskiy DS, Lagunin AA, Filimonov DA, Poroikov VV.

J Chem Inf Model. 2017 Apr 24;57(4):638-642. doi: 10.1021/acs.jcim.6b00662. Epub 2017 Apr 3.

PMID:
28345905
28.

Anticonvulsant activity and acute neurotoxic profile of Achyranthes aspera Linn.

Gawande DY, Druzhilovsky D, Gupta RC, Poroikov V, Goel RK.

J Ethnopharmacol. 2017 Apr 18;202:97-102. doi: 10.1016/j.jep.2017.03.018. Epub 2017 Mar 14.

PMID:
28315457
29.

In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions.

Ivanov S, Semin M, Lagunin A, Filimonov D, Poroikov V.

Mol Inform. 2017 Jul;36(7). doi: 10.1002/minf.201600142. Epub 2017 Feb 1.

PMID:
28145637
30.

Pharmacological and Predicted Activities of Natural Azo Compounds.

Dembitsky VM, Gloriozova TA, Poroikov VV.

Nat Prod Bioprospect. 2017 Feb;7(1):151-169. doi: 10.1007/s13659-016-0117-3. Epub 2017 Jan 4.

31.

PASS-based approach to predict HIV-1 reverse transcriptase resistance.

Tarasova O, Filimonov D, Poroikov V.

J Bioinform Comput Biol. 2017 Apr;15(2):1650040. doi: 10.1142/S0219720016500402. Epub 2016 Nov 22.

PMID:
28033735
32.

Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics.

Rudik AV, Dmitriev AV, Lagunin AA, Filimonov DA, Poroikov VV.

J Cheminform. 2016 Nov 28;8:68. eCollection 2016.

33.

Multi-omics "upstream analysis" of regulatory genomic regions helps identifying targets against methotrexate resistance of colon cancer.

Kel AE, Stegmaier P, Valeev T, Koschmann J, Poroikov V, Kel-Margoulis OV, Wingender E.

EuPA Open Proteom. 2016 Sep 9;13:1-13. doi: 10.1016/j.euprot.2016.09.002. eCollection 2016 Dec.

34.

QSAR Modeling and Prediction of Drug-Drug Interactions.

Zakharov AV, Varlamova EV, Lagunin AA, Dmitriev AV, Muratov EN, Fourches D, Kuz'min VE, Poroikov VV, Tropsha A, Nicklaus MC.

Mol Pharm. 2016 Feb 1;13(2):545-56. doi: 10.1021/acs.molpharmaceut.5b00762. Epub 2016 Jan 5.

PMID:
26669717
35.

Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modelling, prediction of cytotoxicity and interaction with targets.

Konova V, Lagunin A, Pogodin P, Kolotova E, Shtil A, Poroikov V.

SAR QSAR Environ Res. 2015;26(7-9):595-604. doi: 10.1080/1062936X.2015.1076516. Epub 2015 Sep 11.

PMID:
26358808
36.

PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach.

Pogodin PV, Lagunin AA, Filimonov DA, Poroikov VV.

SAR QSAR Environ Res. 2015;26(10):783-93. doi: 10.1080/1062936X.2015.1078407. Epub 2015 Aug 25.

PMID:
26305108
37.

In silico assessment of adverse drug reactions and associated mechanisms.

Ivanov SM, Lagunin AA, Poroikov VV.

Drug Discov Today. 2016 Jan;21(1):58-71. doi: 10.1016/j.drudis.2015.07.018. Epub 2015 Aug 10. Review.

PMID:
26272036
38.

Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR Models.

Guasch L, Zakharov AV, Tarasova OA, Poroikov VV, Liao C, Nicklaus MC.

Curr Top Med Chem. 2016;16(4):441-8. Review.

PMID:
26268340
39.

QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase Inhibitors.

Tarasova OA, Urusova AF, Filimonov DA, Nicklaus MC, Zakharov AV, Poroikov VV.

J Chem Inf Model. 2015 Jul 27;55(7):1388-99. doi: 10.1021/acs.jcim.5b00019. Epub 2015 Jun 29.

PMID:
26046311
40.

20(th) EuroQSAR: Understanding Chemical-Biological Interactions.

Poroikov V.

Mol Inform. 2015 Jun;34(6-7):340. doi: 10.1002/minf.201580631. No abstract available.

PMID:
27490380
41.

[Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional Indian ayurvedic medicine].

Lagunin AA, Druzhilovsky DS, Rudik AV, Filimonov DA, Gawande D, Suresh K, Goel R, Poroikov VV.

Biomed Khim. 2015 Mar-Apr;61(2):286-97. doi: 10.18097/PBMC20156102286. Russian.

PMID:
25978395
42.

Revealing Medicinal Plants That Are Useful for the Comprehensive Management of Epilepsy and Associated Comorbidities through In Silico Mining of Their Phytochemical Diversity.

Goel RK, Gawande D, Lagunin A, Randhawa P, Mishra A, Poroikov V.

Planta Med. 2015 Apr;81(6):495-506. doi: 10.1055/s-0035-1545884. Epub 2015 Apr 9.

PMID:
25856437
43.

SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds.

Rudik A, Dmitriev A, Lagunin A, Filimonov D, Poroikov V.

Bioinformatics. 2015 Jun 15;31(12):2046-8. doi: 10.1093/bioinformatics/btv087. Epub 2015 Feb 11.

PMID:
25777527
44.

Identification of drug targets related to the induction of ventricular tachyarrhythmia through a systems chemical biology approach.

Ivanov SM, Lagunin AA, Pogodin PV, Filimonov DA, Poroikov VV.

Toxicol Sci. 2015 Jun;145(2):321-36. doi: 10.1093/toxsci/kfv054. Epub 2015 Mar 12.

PMID:
25766883
45.

Naturally occurring plant isoquinoline N-oxide alkaloids: their pharmacological and SAR activities.

Dembitsky VM, Gloriozova TA, Poroikov VV.

Phytomedicine. 2015 Jan 15;22(1):183-202. doi: 10.1016/j.phymed.2014.11.002. Epub 2014 Nov 20. Review.

PMID:
25636889
46.

Synthesis and anticancer activity of quinopimaric and maleopimaric acids’ derivatives.

Tretyakova EV, Smirnova IE, Kazakova OB, Tolstikov GA, Yavorskaya NP, Golubeva IS, Pugacheva RB, Apryshko GN, Poroikov VV.

Bioorg Med Chem. 2014 Nov 15;22(22):6481-9.

PMID:
25440729
47.

Design, synthesis and pharmacological evaluation of novel vanadium-containing complexes as antidiabetic agents.

Fedorova EV, Buryakina AV, Zakharov AV, Filimonov DA, Lagunin AA, Poroikov VV.

PLoS One. 2014 Jul 24;9(7):e100386. doi: 10.1371/journal.pone.0100386. eCollection 2014.

48.

Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review.

Lagunin AA, Goel RK, Gawande DY, Pahwa P, Gloriozova TA, Dmitriev AV, Ivanov SM, Rudik AV, Konova VI, Pogodin PV, Druzhilovsky DS, Poroikov VV.

Nat Prod Rep. 2014 Nov;31(11):1585-611. doi: 10.1039/c4np00068d. Review.

PMID:
25051191
49.

Identification of drug-induced myocardial infarction-related protein targets through the prediction of drug-target interactions and analysis of biological processes.

Ivanov SM, Lagunin AA, Pogodin PV, Filimonov DA, Poroikov VV.

Chem Res Toxicol. 2014 Jul 21;27(7):1263-81. doi: 10.1021/tx500147d. Epub 2014 Jun 18.

PMID:
24920530
50.

[Computer modeling of blood brain barrier permeability of physiologically active compounds].

Raevskiĭ OA, Solodova SL, Lagunin AA, Poroĭkov VV.

Biomed Khim. 2014 Mar-Apr;60(2):161-81. Review. Russian.

PMID:
24837308

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