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Year Wise Publications

                                                

                                             

List of publications in 2017

  1. Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery, S. Nagamani, A. S. Gaur, K. Tanneeru, G. Muneeswaran, S.S. Madugula, MPDS Consortium, D. Druzhilovskiy, V.V.Poroikov, G.N. Sastry, SAR QSAR Environ. Res.,2017, 28, 913-926.
  2. How good are publicly available web services that predict bioactivity profiles for drug repurposing? K. A. Murtazalieva, D. S. Druzhilovskiy, R. K. Goel, G. N. Sastry V.V. Poroikov, SAR QSAR Environ. Res., 2017, 28, 843-862.
  3. A QSAR and molecular modeling study towards new lead finding: Polypharmacological approach to Mycobacterium tuberculosis, S. Janardhan; L. John; M. Prasanthi; V. Poroikov; G.N.Sastry, SAR QSAR Environ. Res.,2017, 28, 815-832.
  4. Computational platform Way2Drug: from the prediction of biological activity to drug repurposing, D.S. Druzhilovskiy, A.V.Rudik, D.A.Filimonov, T.A.Gloriozova, A. A. Lagunin, A.V. Dmitriev, P.V. Pogodin, V.I. Dubovskaja, S.M.Ivanov, O.A.Tarasova, K.A.Murtazalieva, M. I. Semin, I. S. Maiorov, A. S. Gaur, G.N. Sastry, V. V. Poroikov, Russ. Chem. Bull.,2017,10, 1832-1841.
  5. Targeting progesterone metabolism in breast cancer with L-proline derived new 14-azasteroids, J.Singh, R.Singh, P. Gupta, S. Rai, A.Ganesher, P.Badrinarayan, G.N.Sastry, R.Konwar, G.Panda, Bioorg. Med. Chem. 2017, 25, 4452-4463.
  6. On the origin of spurious errors in many-body expansion for water cluster, S. Saha, M. R. Vivek, G. N Sastry, J. Chem. Sci., 2017,129, 515-531.
  7. Resources for Discovery and Development of New Medicines, V.M Bezhentsev; D.S.Druzhilovskiy, S.M.Ivanov, D.A.Filimonov, G.N.Sastry, V.V. Poroikov, Pharm Chem J., 2017,51, 91-99.
  8. Assessing Therapeutic Potential of Molecules: Molecular Property Diagnostic Suite for Tuberculosis (MPDSTB). A. S. Gaur, A. Bhardwaj, A. Sharma, A.; L. John, M. R. Vivek, N. Tripathi, P. V. Bharatam, R. Kumar, S. Janardhan, A. Mori, A. Banerji, A. M. Lynn, A. J. Hemrom, A. Passi, A. Singh, A. Kumar, C. Muvva, C. Madhuri, C. Choudhury, A. D. Kumar, D. Pandit, D. R. Bharti, D. Kumar, A. Er. Singam, G. P. S. Raghava, H. Sailaja, H. Jangra, K. Raithatha, K. Tanneeru, K. Chaudhary, M. Karthikeyan, M. Prasanthi, N. Kumar, N. Yedukondalu, N. K. Rajput, P. S. Saranya, P. Narang, P. Dutta, R. V. Krishnan, R. Sharma, R. Srinithi, R. Mishra, S. Hemasri, S. Singh, S. Venkatesan, S. Kumar, U. C. A. Jaleel, V. Khedkar, Y. Joshi, G. N. Sastry, J. Chem. Sci.,2017, 129, 515-531.
  9. CoMFA, CoMSIA, kNN MFA and docking studies of 1,2,4-oxadiazole derivatives as potent caspase-3 activators, A.Vaidya, A. K. Jain., B.R.P. Kumar, G. N. Sastry, S. K. Kashaw, R.K. Agrawal, Arab. J. Chem., 2017, 10, S3936-S3946.