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101. Saravanan, V.; Dualpred, A webserver for predicting plant proteins dual-targeted to chloroplast and mitochondria using split protein-relatedness-measure feature, Current Bioinformatics, , 2015, 10 (3), 323-331
102. , Next-generation sequencing and assembly of plant genomes., , PlantOmics: The Omics of Plant Science. (Editors: Barh D., Khan, M.S., Davies E.), 2015, Pages 53-64, Springer
103. Topno, N. S.; Kannan, M.; Krishna, R, Interacting mechanism of ID3 HLH domain towards E2A/E12 transcription factor - An Insight through molecular dynamics and docking approach, , Biochemistry and Biophysics Reports, 2015, 5, 180-190
104. Sarvagalla, S.; Singh, V. K.; Ke, Y. Y.; Shiao, H. Y.; Lin, W. H.; Hsieh, H. P.; Hsu, J. T. A.; Coumar, M. S.,, Identification of ligand efficient, fragment-like hits from an HTS library: Structure-based virtual screening and docking investigations of 2H- and 3H-pyrazolo tautomers for Aurora kinase A selectivity, Journal of Computer-Aided Molecular Design, , 2015, 29 (1), 89-100
105. S. Datta, S. Sarkar, S. Chakraborty, S. K. Mulpuru, S. Basu, Basant K. Tiwary, N. Chakrabarti & P. K. Roy, MRI characterization of temporal lobe epilepsy using rapidly measurable spatial indices with hemisphere asymmetries and gender features. Neuroradiology, Springer, , 2015, 57:873-86
106. Sarvagalla, S.; Coumar, M. S.,, Structural Biology Insight for the Design of Sub-type Selective Aurora Kinase Inhibitors, , current cancer drug targets, 2015, 15 (5), 375-93;
107. Ke, Y. Y.; Singh, V. K.; Coumar, M. S.; Hsu, Y. C.; Wang, W. C.; Song, J. S.; Chen, C. H.; Lin, W. H.; Wu, S. H.; Hsu, J. T.; Shih, C.; Hsieh, H. P., Homology modeling of DFG-in FMS-like tyrosine kinase 3 (FLT3) and structure-based virtual screening for inhibitor identification, , Scientific Reports, 2015, 5, 11702;
108. Archana Pan, Chandrajit Lahiri, Anjana Rajendiran, Buvaneswari Shanmugham, Computational analysis of protein interaction networks for infectious diseases, , Brief Bioinform, 2015, pii: bbv059
109. Chinta, G.; Syed, S. B.; Coumar, M. S.; Periyasamy, L.,, Piperine: A comprehensive review of pre-clinical and clinical investigations., , Current Bioactive Compounds, 2015, 11 (3), 156-169;
110. Parthiban, A.; Muthukumaran, J.; Manhas, A.; Srivastava, K.; Krishna, R.; Rao, H. S. P, Synthesis, in vitro and in silico antimalarial activity of 7-chloroquinoline and 4H-chromene conjugates, , Bioorganic and Medicinal Chemistry Letters, 2015, 25 (20), 4657-4663
111. Subastri, A.; Ramamurthy, C. H.; Suyavaran, A.; Mareeswaran, R.; Lokeswara Rao, P.; Harikrishna, M.; Suresh Kumar, M.; Sujatha, V.; Thirunavukkarasu, C, Spectroscopic and molecular docking studies on the interaction of troxerutin with DNA. , , International journal of biological macromolecules, 2015, 78, 122-9
112. Parthiban, A.; Kumaravel, M.; Muthukumaran, J.; Rukkumani, R.; Krishna, R.; Surya Prakash Rao, H, Design, synthesis, in vitro and in silico anti-cancer activity of 4H-chromenes with C4-active methine groups, , Medicinal Chemistry Research, 2015, 24 (3), 1226-1240
113. Subastri, A.; Ramamurthy, C. H.; Suyavaran, A.; Lokeswara Rao, P.; Preedia Babu, E.; Hari Krishna, K.; Suresh Kumar, M.; Thirunavukkarasu, C, Probing the interaction of troxerutin with transfer RNA by spectroscopic and molecular modeling, , Journal of photochemistry and photobiology. B, Biology, 2015, 153, 137-44
114. Panneerselvam, M.; Muthu, K.; Ramadas, K, Structural insights into tumor-specific chaperoning activity of gamma synuclein in protecting estrogen receptor alpha 36 and its role in tamoxifen resistance in breast cancer, , Molecular bioSystems, 2015, 11 (11), 2998-3010
116. Sharma, O. P.; Hari Krishna, K.; Suresh Kumar, M., Probing the Structural and Conformational Stability of the Wb-iPGM Enzyme and Role of Mn2+ Ions in Their Catalytic Site, , International Journal of Peptide Research and Therapeutics , 2015, 21 (4), 393-402;
117. Yi-Yu Ke, Vivek Kumar Singh, Mohane Selvaraj Coumar, Yung Chang Hsu, WenChieh Wang, Jen-Shin Song, Chun-Hwa Chen, Wen-Hsing Lin, Szu-Huei Wu, John T. A. Hsu, Chuan Shih & Hsing-Pang Hsieh., HOMOLOGY MODELING OF DFG-in FMS-LIKE TYROSINE KINASE (FLT3) AND STRUCTURE-BASED VIRTUAL SCREENING FOR INHIBITOR IDENTIFICATION, , Scientific Reports, 2015, 5:11702.
118. Preedia Babu, E.; Subastri, A.; Suyavaran, A.; Lokeshwara Rao, P.; Suresh Kumar, M.; Jeevaratnam, K.; Thirunavukkarasu, C., Extracellularly synthesized ZnO nanoparticles interact with DNA and augment gamma radiation induced DNA damage through reactive oxygen species, , RSC Advances, 2015, 5 (76), 62067-62077.
119. Liang, W.; Miao, S.; Zhang, B.; He, S.; Shou, C.; Manivel, P.; Krishna, R.; Chen, Y.; Shi, Y. E, Synuclein ? protects Akt and mTOR and renders tumor resistance to Hsp90 disruption, , Oncogene, 2015, 34 (18), 2398-2405
120. Gopichand Chinta, Mariasoosai Ramya Chandar Charles, Ivana Klopcic, Marija Sollner Dolenc, Latha Periyasamy,* and Mohane Selvaraj Coumar*, IN SILICO AND IN VITRO INVESTIGATION OF THE PIPERINE'S MALE CONTRACEPTIVE EFFECT: DOCKING AND MOLECULAR DYNAMICS SIMULATION STUDIES IN ANDROGEN BINDING PROTEIN AND ANDROGEN RECEPTOR, , Planta medica, 2015, 81,804-12.
121. Kennedy, R. K.; Veena, V.; Naik, P. R.; Lakshmi, P.; Krishna, R.; Sudharani, S.; Sakthivel, N., Phenazine-1-carboxamide (PCN) from Pseudomonas sp. strain PUP6 selectively induced apoptosis in lung (A549) and breast (MDA MB-231) cancer cells by inhibition of antiapoptotic Bcl-2 family proteins, , Apoptosis : an international journal on programmed cell death , 2015, 20 (6), 858-868
122. Sailu Sarvagalla, Vivek Kumar Singh, Yi-Yu Ke, Hui-Yi Shiao, Wen-Hsing Lin, Hsing-Pang Hsieh, John T. A. Hsu, and Mohane Selvaraj Coumar*, IDENTIFICATION OF LIGAND EFFICIENT, FRAGMENT-LIKE HITS FROM AN HTS LIBRARY: STRUCTURE-BASED VIRTUAL SCREENING AND DOCKING INVESTIGATIONS OF 2H- AND 3H-PYRAZOLO TAUTOMERS FOR AURORA KINASE A SELECTIVITY, Journal of Computer-Aided Molecular Design, , 2015, 29,89-100
123. Devi, S. T.; Tandon, H.; Ampasala, D. R., , Identification of potent bromodomain4 (BRD4) inhibitors by energypharmacophore based virtual screening to target BRD4-NUT midline carcinoma, International Journal of Pharmacy and Pharmaceutical Sciences, , 2015, 7 (4), 77-84
124. Sangeetha, B.; Muthukumaran, R.; Amutha, R., Structural dynamics of native and V260E mutant C-terminal domain of HIV-1 integrase., Journal of Computer-Aided Molecular Design, , 2015, 29 (4), 371-85;
125. Venkatesan, A.; Kuppusamy, D.; Gopal, J.; Gasva, K, Interface for protein structure prediction using self-organizing genetic algorithm, , International Journal of Applied Engineering Research, 2015, 10 (14), 34720-34725
126. Kennedy, R. K.; Naik, P. R.; Veena, V.; Lakshmi, B. S.; Lakshmi, P.; Krishna, R.; Sakthivel, N, 5-Methyl phenazine-1-carboxylic acid: a novel bioactive metabolite by a rhizosphere soil bacterium that exhibits potent antimicrobial and anticancer activities, , Chemico-biological interactions, 2015, 231, 71-82
127. Saravanan, V.; Lakshmi, P. T. V, ACPP: A web server for prediction and design of anti-cancer peptides, , International Journal of Peptide Research and Therapeutics, 2015, 21(1),99-106
128. Sapam Tuleshwori Devi, Anushree Dutta, Bhagath Kumar Palaka, MohdBabu Khan, Kasi Viswanath, Identification and Validation of CCR5 Antagonists from Maraviroc Analogs by PharmacophoreModelling and 3D-QSAR Studies, , Current Drug Therapy, 2015, 9(3), 188-198
130. Manas Ranjan Barik, Insilico identification and analysis of spo0A as drug target in Clostridium difficile., , Journal of Chemical and Pharmaceutical Research , 2015, 7(3):2069-2079
131. Rai, N.; Ramaswamy, A., Temperature dependent dynamics of DegP-trimer: A molecular dynamics study, Computational and Structural Biotechnology Journal, , 2015, 13, 329-38;
132. Rani, N.; Saravanan, V.; V, L. P.; Arunachalam, A, Allosteric site mediated active site inhibition of PBP2a using Quercetin 3-O-Rutinoside and its combination, , Journal of biomolecular structure & dynamics, 2015, 1-35
133. Muthukumaran, R.; Sangeetha, B.; Amutha, R., conformational analysis on the wild type and mutated forms of human ORF1p: a molecular dynamics study, , Molecular Biosystems, 2015, 11 (7), 1987-99;
135. Devi, R.V.; Sathya, S.S.; Coumar, M.S., Devi, R.V.; Sathya, S.S.; Coumar, M.S., , Journal of Soft Computing Enginerring, 2014, 4 (2), 92-96.
136. Jadhav, A.; Shanmugham, B.; Rajendiran, A.; Pan, A, Unraveling novel broad-spectrum antibacterial targets in food and waterborne pathogens using comparative genomics and protein interaction network analysis, , Infection, genetics and evolution : journal of molecular epidemiology and evolutionary genetics in infectious diseases , 2014, 27, 300-8
137. Ezhilarasan, V.; Jadhav, A.; Pan, A, Screening of potent antibacterial agents targeting Clostridium difficile virulence factor toxin B: An in silico approach, , Medicinal Chemistry Research, 2014, 23 (10), 4464-4481
138. Mohankumar, K.; Pajaniradje, S.; Sridharan, S.; Singh, V. K.; Ronsard, L.; Banerjea, A. C.; Benson, C. S.; Coumar, M. S.; Periyasamy, L.; Rajagopalan, R, Molecular mechanism of apoptotic induction by an analog of curcumin, bdmc-a in human laryngeal carcinoma cell line (hep-2) through extrinsic and intrinsic pathways in comparison with curcumin: an in vitro - in silico study, , Cellular Oncology, 2014, 37, 439-454.
139. Bhagath Kumar P., NagendraPratap S., KasiViswanath K., Sampath Kumar R, UDP-N-Acetyl glucosamine pyrophosphorylase as novel target for controlling Aedesaegypti molecular modeling, docking and simulation studies, , International Journal of Mosquito Research, 2014, 1(4): 17-24
140. Kanagarajan, S.; Mutharasappan, N.; Dhamodharan, P.; Jeyaraman, M.; Ramadas, K.; Jeyaraman, J, Exploring the structural features of Aspartate Trans Carbamoylase (Tt ATCase) from Thermus thermophilus HB8 through in silico approaches: A potential drug target for inborn error of pyrimidine metabolism, , Journal of Biomolecular Structure and Dynamics, 2014, 32 (4), 591-601
141. Mohankumar, K.; Pajaniradje, S.; Sridharan, S.; Singh, V. K.; Ronsard, L.; Banerjea, A. C.; Benson, C. S.; Coumar, M. S.; Rajagopalan, R, Mechanism of apoptotic induction in human breast cancer cell, MCF-7, by an analog of curcumin in comparison with curcumin - An in vitro and in silico approach, , Chemico-biological interactions, 2014, 210 (1), 51-63;
142. DheerajChitara, K.K. Viswnath, P. Bhagathkumar, Structural Characterization of Human 15-Lipoxygenase Protein, A Key Player in Human Pancreatic Cancer, , Indian Journal of Advances in Chemical Science, 2014, 2(3), 217-222.
143. Ke, Y. Y.; Coumar, M. S.; Shiao, H. Y.; Wang, W. C.; Chen, C. W.; Song, J. S.; Chen, C. H.; Lin, W. H.; Wu, S. H.; Hsu, J. T. A.; Chang, C. M.; Hsieh, H. P.,, Ligand efficiency based approach for efficient virtual screening of compound libraries, European journal of medicinal chemistry, , 2014, 83, 226-235;
144. Sangeetha, B.; Muthukumaran, R.; Amutha, R., The dynamics of interconverting D- and E-forms of the HIV-1 integrase N-terminal domain, , European Biophysics, 2014, 43 (10-11), 485-98
145. Saravanan, V.; Lakshmi, P. T.,, Fuzzy logic for personalized healthcare and diagnostics: FuzzyApp--a fuzzy logic based allergen-protein predictor, Integrative Biology, , 2014, 18 (9), 570-81
146. Kasi Viswanath Kotapati., Bhagath Kumar Palaka., Anithamma Kandukuri., Ramachandra Reddy Pamuru , Response of antioxidative enzymes and lipoxygenase to drought stress in Finger millet leaves (Eleusine coracana (L.) Gaertn). International Journal of Plant, Animal and Environmental Sciences, , International Journal of Plant, Animal and Environmental Sciences. , 2014, Vol.4(3) 644-653
147. Rani, N.; Vijayakumar, S.; Thanga Velan, L. P.; Arunachalam, A., Quercetin 3-O-rutinoside mediated inhibition of PBP2a: computational and experimental evidence to its anti-MRSA activity, , Molecular Biosystems, 2014, 10 (12), 3229-37
148. Ponmari, G.; Annamalai, A.; Gopalakrishnan, V. K.; Lakshmi, P. T. V.; Guruvayoorappan, C, NF-kB activation and proinflammatory cytokines mediated protective effect of Indigofera caerulea Roxb. on CCl4 induced liver damage in rats., , International immunopharmacology, 2014, 23 (2), 672-680
149. Yi-Yu Ke, Mohane Selvaraj Coumar, Hui-Yi Shiao, Wen-Chieh Wang, Chieh-Wen Chen, Jen-Shin Song, Chun-Hwa Chen, Wen-Hsing Lin, Szu-Huei Wu, John T. A. Hsu, Chung-Ming Chang and Hsing-Pang Hsieh, LIGAND EFFICIENCY BASED APPROACH FOR EFFICIENT VIRTUAL SCREENING OF COMPOUND LIBRARIES, European journal of medicinal chemistry, , 2014, 83, 226-235
150. Hemant Arya and Mohane Selvaraj Coumar, Virtual screening of traditional Chinese medicine (TCM) database: Identification of fragment-like lead molecules for filariasis target asparaginyl-tRNA synthetase, Journal of Molecular Modelling, , 2014, 20, 2266

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May 2022