A Knowledge Based Approach to Drug Repurposing for Socially Important and Rare Diseases.
RSF - DST Project # 16-45-02012 - INT/RUS/RSF/12

Publications

2019

Poroikov V., Druzhilovskiy D. Drug Repositioning: New Opportunities for Older Drugs. In: In Silico Drug Design, 1st Edition. Repurposing Techniques and Methodologies. Chapter 1. Editors: Kunal Roy. Elsevier, Academic Press, 2019. - 750 p.p.


2018

Goel R.K., Gawande D.Y., Lagunin A.A., Poroikov V.V. (2018). Pharmacological repositioning of Achyranthes aspera as an antidepressant using pharmacoinformatic tools PASS and PharmaExpert: a case study with wet lab validation. SAR and QSAR in Environmental Research, 29 (1), 69-81. DOI: 10.1080/1062936X.2017.1408683


Gaur A.S., Nagamani S., Tanneeru K., Druzhilovskiy D., Rudik A., Poroikov V., Sastry G.N. (2018). Molecular Property Diagnostic Suite for Diabetes Mellitus (MPDSDM): An Integrated Web Portal for Drug Discovery and Drug Repurposing. Journal of Biomedical Informatics, 85, 114-125. DOI: 10.1016/j.jbi.2018.08.003


Lagunin A.A., Dubovskaja V.I., Rudik A.V., Pogodin P.V., Druzhilovskiy D.S., Gloriozova T.A., Filimonov D.A., Sastry G.N., Poroikov V.V. (2018). CLC-Pred: a freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds. PLOS One, 13 (1), e0191838. DOI: 10.1371/journal.pone.0191838


Bezhentsev V., Ivanov S., Kumar S., Goel R., Poroikov V. (2018). Identification of potential drug targets for treatment of refractory epilepsy using network pharmacology. Journal of Bioinformatics and Computational Biology, 16 (1), 1840002. DOI: 10.1142/S0219720018400024


Sverchinsky D.V., Nikotina A.D., Komarova E.Y., Mikhaylova E.R., Aksenov N.D., Lazarev V.V., Mitkevich V.A., Suezov R., Druzhilovskiy D.S., Poroikov V.V., Margulis B.A., Guzhova I.V. (2018). Etoposide-induced apoptosis in cancer cells can be reinforced by a chemically uncoupled link between Hsp70 and Caspase-3. International Journal of Molecular Sciences, 19, 2519. DOI: 10.3390/ijms19092519


2017

Janardhan S, Konova V., Lagunin A., Rao B.V., Sastry G.N., Poroikov V. (2017). Recent Advances in the development of pharmaceutical agents for metabolic disorders: a computational perspective. Current Medicinal Chemistry. DOI: 10.2174/0929867324666171002120647


Bezhentsev V.M., Druzhilovskiy D.S., Ivanov S.M., Filimonov D.A., Sastry G.N., Poroikov V.V. (2017). Web Resources for Discovery and Development of New Medicines. Pharmaceutical Chemistry Journal, 51 (2), 91–99. DOI: 10.1007/s11094-017-1563-x


Druzhilovskiy D.S., Rudik A.V., Filimonov D.A., Gloriozova T.A., Lagunin A.A., Dmitriev A.V., Pogodin P.V., Dubovskaja V.I., Ivanov S.M., Tarasova O.A., Bezhentsev V.M., Murtazalieva K.A., Semin M.I., Mayorov I.S., Gaur A.S., Sastry G.N., and Poroikov V.V. (2017). Computational platform Way2Drug: from the prediction of biological activity to drug repurposing. Russian Chemical Bulletin, International Edition, 66 (10), 1832-1841


Gawande D.Y., Druzhilovsky D., Gupta R.C., Poroikov V., Goel R.K. (2017). Anticonvulsant activity and acute neurotoxic profile of Achyranthes aspera Linn. Journal of Ethnopharmacology, 202 (18) 97-102. DOI: 10.1016/j.jep.2017.03.018


Murtazalieva K.A., Druzhilovskiy D.S., Goel R.K., Sastry G.N., Poroikov V.V. (2017). How good are publicly available web services that predict bioactivity profiles for drug repurposing? SAR and QSAR in Environmental Research, 28 (10), 843-862. DOI: 10.1080/1062936X.2017.1399448


Nagamani S., Gaur A.S., Tanneeru K., Muneeswaran G., Madugula S.S., MPDS Consortium, Druzhilovskiy D., Poroikov V.V., Sastry G.N. (2017). Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery. SAR and QSAR in Environmental Research, 28 (11), 913-926. DOI: 10.1080/1062936X.2017.1402819


Janardhan S., John L., Prasanthi M., Poroikov V.V., Sastry G.N. (2017). A QSAR and molecular modeling study towards new lead finding: Polypharmacological approach to Mycobacterium tuberculosis. SAR and QSAR in Environmental Research, 28 (10), 815-832. DOI: 10.1080/1062936X.2017.1398782