1. Visiting Predoctoral Fellow at European Synchrotron Radiation Facility (ESRF) / European Molecular Biology Laboratory (EMBL), Grenoble, France in the group of Dr. Daniele De Sanctis (ESRF) and Dr. Andrew McCarthy (EMBL) from April 2011 to August 2011.
Analysis of X-ray data and resulting structure for UV induced radiation damage phasing
2. Completed a course on Symmetry in the Solid State conducted by Prof. T. N. Guru Row at Solid State Structural Chemistry Unit, Indian Institute of Science (IISc), Bangalore, India from Aug-2010 to Dec-2010.
3. Trainee at European Molecular Biology Laboratory, c/o DESY (German synchrotron facility) Hamburg, Germany from April 2009 to Jan 2010 in the group of Dr. Paul Tucker
Automating the number of monomers in asymmetric unit of protein crystal
Protein crystal data collection and processing
Protein – Ligand interaction study of FAR Protein using AutoDock
4. Worked at Vittal Mallya Scientific Research Foundation (www.vmsrf.org), Bangalore as Research Assistant from Aug-2008 to March-2009
· Database design and development of Neem secondary metabolites using MySQL and PHP
· Virtual screening of candidate botanicals against neural cytoskeletal protein as potential insecticidal target
5. Indgen Life Technologies as Research Associate from Aug 2007 to July 2008
· Performed target identification, validation and docking studies of Succinic acid derivatives over Cyclooxygenase-1
· Designing a potential drug inhibitor for pancreatic lipase using Structure Based Drug Designing
· Analysis of CD4 receptor and design of potential inhibitor against HIV
· Sequence analysis tool development using Python/Biopython
Ph.D, Bioinformatics
M.Sc, Bioinformatics
Dec 2008 – Nov 2014
2005-Aug 2007
PES Institute of Technology, Bangalore, India
Kuvempu University, Shankarghatta, India
Research Interest:
Bioinformatics, Computer Aided Drug Design, Molecular Modeling & Structural Bioinformatics, Crystallography
Research Publications:
Jaishree, B, Basavarajaiah, SM, Karunakar, Prashantha, Dhonnar, Sunil Laxman, Nagesh, GY, Punithkumar, M, Bhargav, P, Vishwas Aradhya, KJ,. Exploration of 1, 3, 4â€oxadiazoles Engrafted With Indole and Phthalimide Scaffolds as Multi Target Peroxidase, Acetylcholinesterase, and Butyrylchloinesterase Inhibitors: Synthesis, DFT Calculations, and Molecular Docking Studies. ChemistrySelect. 2025;10(6):e202404925.
Jisha, SP, Nagesh, GY, Karunakar, Prashantha, Nidhi, G, Sridhar, BT, Basavarajaiah, SM,. Exploration of novel isoniazid embedded 1, 3, 4-oxadiazole hybrids as anti-TB, antioxidant, and COX inhibitors: synthesis, spectral analysis, and molecular modeling studies. Journal of the Iranian Chemical Society. 2025;:1-15.
Manjunath, M, Sujata, FH, Shridhara, AH, Vinay Kumar, B, Prashantha, K, Yogendra, K, Madhusudhana, N,. Sustainable synthesis of benzimidazole-based Schiff base using reusable CaAl2O4 nanophosphors catalyst: Insights into metal (II) complexes and DNA interactions. Nucleosides, Nucleotides & Nucleic Acids. 2025;:1-23.
Beulah, KC, Prasanna, Akshatha, Karunakar, Prashantha, Rao, Archana S, More, Sunil S, Nair, Ajay,. Exploring caffeine as a disruptor of membrane integrity and genomic stability in Staphylococcus aureus: functional and in silico analysis. Archives of Microbiology. 2025;207(2):28.
Hiremath, Basavaraj, Maurya, Anushree, Nagesh, GY, Prasad, Onkar, Karunakar, Prashantha, Sinha, Leena, Ahmed, Mukhtar, Basavarajaiah, SM,. Synthesis, Structural, DFT studies, Biological Effectiveness, and Molecular Docking Aspects of Multitarget Novel N-(4-Phenylthiazol-2-yl) hydrazine carboxamide Hybrids as COX inhibitors, Anti-TB, and Anti-oxidant activity. Journal of Molecular Structure. 2025;1321:140081.
Sridhar, BT, Javeed, Mohammad, Karunakar, Prashantha, Nagesh, GY, Ahmed, Mukhtar, Nalini, R, Basavarajaiah, SM,. Investigating the molecular interactions of 11-substituted-1-(4-chlorophenyl)-8H-indolo [3, 2-c][1, 2, 4] triazolo [3, 4-a] isoquinolines for Antimicrobial Potential: Synthesis, Spectral, In vitro and In silico study interpretations. Journal of Molecular Structure. 2024;1312:138617.
Mathada, Basavarajaiah Suliphuldevara, Basha, N Jeelan, Javeed, Mohammad, Karunakar, Prashantha, Venkatesulu, Adavala, Erappa, Krishnakanth, Varsha, A,. Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies. Journal of Biomolecular Structure and Dynamics. 2024;42(4):1751-1764.
Sravanthi, B, Himavathi, G, Robert, AR, Karunakar, Prashantha, Kiran, KS, Maddila, S,. Design, synthesis, computational molecular docking studies of novel heterocyclics bearing 1, 2, 4–triazole, 1, 3, 4–oxadiazole conjugates as potent antibacterial and antitubercular agents. Journal of Biomolecular Structure and Dynamics. 2024;42(10):5376-5389.
Agrawal, Raghvendra, Punarva, HB, Heda, Gagan O, Vishesh, YM, Karunakar, Prashantha,. VinaLigGen: a method to generate LigPlots and retrieval of hydrogen and hydrophobic interactions from protein-ligand complexes. Journal of Biomolecular Structure and Dynamics. 2024;42(22):12040-12043.
Das Mitra, Susweta, Kumar, Bharat, Rajegowda, Sushmitha, Bandopadhyay, Satarupa, Karunakar, Prashantha, Pais, Roshan,. Reverse vaccinology & immunoinformatics approach to design a multiepitope vaccine (CV3Ag-antiMRSA) against methicillin resistant Staphylococcus aureus (MRSA)–a pathogen affecting both human and animal health. Journal of Biomolecular Structure and Dynamics. 2024;42(21):11792-11811.
Nalini, R, Nagesh, GY, Mohammad, J, Karunakar, Prashantha, Basavarajaiah, SM, Rakesh, BM,. Synthesis, spectral analysis, DFT calculations, in vitro screening, and molecular docking of new metal complexes with quinoline and isoniazid schiff base as antimicrobial and antioxidant agents. Polycyclic Aromatic Compounds. 2024;44(8):5439-5459.
Kumar, Navara Santhosh, Kumar, Ganta Ravi, Padhy, Harihara, Karunakar, Prashantha, Maddila, Suresh,. Synthesis, activity, docking and dynamic simulation studies of novel pyrazolo-pyrano [2, 3-d]-pyrimidine analogues as anti-diabetic agents. Journal of Molecular Structure. 2024;1305:137720.
Kumari, Tammineni Lalita, Robert, Alice Rinky, Karunakar, Prashantha, Maddila, Suresh, Jonnalagadda, Sreekantha B,. Design, synthesis, molecular docking and dynamic studies of novel thienopyrimidine analogs linked to 1, 2, 3-triazole-bearing acetamide derivatives as anti-oxidant agents. Journal of Molecular Structure. 2024;1307:137883.
Karunakar, Prashantha, KS, Kiran, Prasad, Suchitra K, Prabhu, Praneetha, Chandramohan, Vivek,. Virtual Screening of Native Variants of Focal Adhesion Kinase-A QSAR, Molecular Docking, and Dynamic Simulation Study. Letters in Drug Design & Discovery. 2024;21(2):254-269.
Rajeswari, Muthirevula, Nagaraju, Begari, Yasmintaj, Shaik, Muralidhar, Pamerla, Rao, Chunduri Venkata, Karunakar, Prashantha, Maddila, Suresh,. Design, synthesis, biological evolution and in silico studies of a novel 1, 2, 3, 4â€tetrazole fused with 1, 3, 4â€thiadiazoleâ€2â€amine derivatives. Journal of Heterocyclic Chemistry. 2024;61(7):1116-1124.
Prasanna, Akshatha, Karunakar, Prashantha, Pillai, Anushka, Mukundan, Shreyashree, YV, Mansi, Balaji, Renu, Niranjan, Vidya, Skariyachan, Sinosh, Narayanappa, Rajeswari,. Screening of bioactive compounds from selected mushroom species against putative drug targets in Mycobacterium tuberculosis: a multi-target approach. Journal of Biomolecular Structure and Dynamics. 2024;:1-16.
Jayanayak, Guruprasad M, Shashikanth, S, Ahmed, Shamsuddin, Karunakar, Prashantha, Ukkund, Shareefraza J, Majdi, Hasan Sh, Alfaisal, Faisal M, Alam, Shamshad,. Studies on remediation of neutral red using water insoluble β-cyclodextrin (β-CD) polymers in aqueous solution. AIP Advances. 2024;14(12):.
Valakatte, Meghna Ravishankar, Viswanath, Vibha, Aithal, Manasa, Karunakar, Prashantha, Narayanappa, Shanti Koppala,. In-vitro and in-silico evaluation of anticancer potential of Oxalis corniculata. Advances in Traditional Medicine. 2024;24(4):1229-1239.
Sridhar, BT, Nagesh, GY, Prashantha, K, Yamuna, M, Sanjay, S, Srinath, KR, Ranjinikanth, K, Gani, RS, Nalini, R, Basavarajaiah, SM,. Discovery of Novel Isatin Encompassing Oxadiazoles as Potential Inhibitors against New Delhi Metallo-β-lactamase-1: Synthesis, Spectral Analysis, Antimicrobial, and Molecular Modeling Studies. Russian Journal of Bioorganic Chemistry. 2024;50(4):1376-1389.
Harish Kumar, K, Sridhar, BT, Karunakar, Prashantha, Nagesh, GY, Gupta, Nidhi, Jisha, SP, Basavarajaiah, SM,. Investigation of Novel 2â€(Chloromethyl)â€5â€(3, 5â€Disubstitutedâ€1Hâ€Indolâ€2â€yl)â€1, 3, 4â€Oxadiazole Derivatives as In Vitro, and In Silico Bioactivity Potential: Antiâ€inflammatory, Antiâ€TB and Antioxidant Activities Study. ChemistrySelect. 2024;9(33):e202401756.
Kumar, Navara Santhosh, Kumar, Ganta Ravi, Padhy, Harihara, Karunakar, Prashantha, Kerru, Nagaraju, Jonnalagadda, Sreekantha B, Maddila, Suresh,. Synthesis, Docking, and Dynamic Studies of New Pyranoâ€[3, 2â€e]â€Pyrazole Fused 1, 2, 4â€Triazoloâ€[4, 3â€c]â€pyrimidine Analogues as Anticancer Agents. ChemistrySelect. 2024;9(42):e202403419.
Mathada, Basavarajaiah Suliphuldevara, Basha, N Jeelan, Karunakar, Prashantha, Periyasamy, Ganga, Somappa, Sasidhar B, Javeed, Mohammad, Vanishree, S,. Investigation of embelin synthetic hybrids as potential COVID-19 and COX inhibitors: synthesis, spectral analysis, DFT calculations and molecular docking studies. Journal of Molecular Structure. 2023;1273:134356.
Roopa, DL, Shyamsunder, K, Karunakar, Prashantha, Rajabathar, Jothi Ramalingam, Venkatesulu, Adavala, Karnan, Muthusamy, Kiran, KS, Selvaraj, Manickam, Basavarajaiah, SM,. Naphtho [2, 1-b] furan derived triazole-pyrimidines as highly potential InhA and Cytochrome c peroxidase inhibitors: synthesis, DFT calculations, drug-likeness profile, molecular docking and dynamic studies. Journal of Molecular Structure. 2023;1287:135685.
Sghyar, Riham, Basavarajaiah, SM, Chda, Alae, Moussaoui, Oussama, Ben-Tama, Abdeslem, Aarab, Lotfi, Mague, Joel T, Prashantha, K, Javeed, Mohammad, Sebbar, Nada Kheira,. Design, synthesis, biological evaluation on immune cell proliferation, crystal structures, spectroscopic characterizations, DFT calculations, ADME analysis, and molecular docking studies with COX of novel tetrazole-Galactopyranosyl analogues. Journal of Molecular Structure. 2023;1287:135695.
Basavarajaiah, Suliphuldevarada Mathada, Badiger, Jaishree, Yernale, Nagesh Gunavanthrao, Gupta, Nidhi, Karunakar, Prashantha, Sridhar, Bilgumba Thimmaiah, Javeed, Mohammad, Kiran, KS, Rakesh, Budimath,. Exploration of Indolo [3, 2c] isoquinoline derived triazoles as potential antimicrobial and DNA cleavage agents: synthesis, DFT calculations, and molecular modeling studies. Bioorganic Chemistry. 2023;137:106598.
Yernale, Nagesh Gunavanthrao, Mathada, Basavarajaiah Suliphuldevara, Shivprasad, Swami, Hiremath, Sunilkumar, Karunakar, Prashantha, Venkatesulu, Adavala,. Spectroscopic, theoretical and computational investigations of novel benzo [b] thiophene based ligand and its M (II) complexes: As high portentous antimicrobial and antioxidant agents. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2023;302:123114.
Yernale, Nagesh Gunavanthrao, Mathada, Basavarajaiah Suliphuldevara, Baburao, Giridhar, Sahane, Sushmita, Patil, Pooja, Karunakar, Prashantha, Venkatesulu, Adavala,. In silico, in vitro and docking exploration for some novel coordination complexes derived from bioactive indole moiety. Journal of Molecular Structure. 2023;1294:136512.
Vinod, Suraksha, Rajesh, Shruthy, Shanti, Koppala Narayanappa, Karunakar, Prashantha,. IDENTIFYING ANTI-DIABETIC POTENTIAL OF ALPHAAMYLASE INHIBITORS IN OCIMUM BASILICUM USING IN VITRO AND IN SILICO APPROACHES.. Suranaree Journal of Science & Technology. 2023;30(6):.
Nagesh, GY, Javeed, Mohammad, Basha, Jeelan N, Prashantha, K, Nithin, R, Thanushree, PR, Vivekananda, S, Gowda, Siri S, Punarva, HB, Basavarajaiah, SM,. Design, Spectral analysis, DFT calculations, antimicrobial, anti-TB, antioxidant activity and molecular docking studies of novel bis-benzoxazines with cytochrome c peroxidase. Journal of Molecular Structure. 2022;1262:132977.
Karunakar, Prashantha, PB, Saarika, V, Krishnamurthy,. In silico modelling and virtual screening for identification of inhibitors for spore wall protein-5 in Nosema bombycis. Journal of Biomolecular Structure and Dynamics. 2022;40(4):1748-1763.
Prabhavathi, H, Dasegowda, KR, Renukananda, KH, Karunakar, Prashantha, Lingaraju, K, Raja Naika, H,. Molecular docking and dynamic simulation to identify potential phytocompound inhibitors for EGFR and HER2 as anti-breast cancer agents. Journal of Biomolecular Structure and Dynamics. 2022;40(10):4713-4724.
Razazan, Atefeh, Karunakar, Prashantha, Mishra, Sidharth P, Sharma, Shailesh, Miller, Brandi, Jain, Shalini, Yadav, Hariom,. Activation of microbiota sensing–free fatty acid receptor 2 signaling ameliorates amyloid-β induced neurotoxicity by modulating proteolysis-senescence axis. Frontiers in Aging Neuroscience. 2021;13:735933.
Sridevi S P, Girija C R, Satish C D, Prashantha Karunakar,. Synthesis, Characterization and Antimicrobial Studies of 3-Methoxy-4-Hydroxy Benzaldehyde & O-Phenylene Diamine Schiff Base Ligand and Its Mixed Ligand Metal Complex Synthesized by Microwave Assisted Method. International Journal of Innovative Research in Technology. 2021;7(11):347-354.
Kendaganna, Pavan Heggadadevanakote, Shivamallu, Chandan, Shruthi, Govindaraju, Chitagudigi, Mekhala Nagabushan, Pradeep, Sushma, Karunakar, Prashantha, Raghavendra, Amachawadi G, Patil, Sharanagouda S, Syed, Asad, Elgorban, Abdallah M,. In silico screening and validation of KPHS_00890 protein of Klebsiella pneumoniae proteome: an application to bacterial resistance and pathogenesis. Journal of King Saud University-Science. 2021;33(6):101537.
Mishra, Sidharth P, Karunakar, Prashantha, Taraphder, Subhash, Yadav, Hariom,. Free fatty acid receptors 2 and 3 as microbial metabolite sensors to shape host health: pharmacophysiological view. Biomedicines. 2020;8(6):154.
Vandana, CD, Shanti, KN, Karunakar, Prashantha, Chandramohan, Vivek,. In silico studies of bioactive phytocompounds with anticancer activity from in vivo and in vitro extracts of Justicia wynaadensis (Nees) T. Anderson. International Journal of Computational Biology and Drug Design. 2020;13(5-6):582-601.
UM, Shravan, Karunakar, Prashantha, Krishnamurthy, V,. Homology modeling, virtual screening and dynamics study of proteins involved in Pebrine-Serine protease inhibitor 106 and spore wall protein 26. Journal of Biomolecular Structure and Dynamics. 2020;38(17):5148-5158.
Razazan, Atefeh, Karunakar, Prashantha, Mishra, Sidharth P, Sharma, Shailesh, Yadav, Hariom,. Fenchol ameliorates Alzheimer’s disease like phenotypes by modulating microbiome/proteolysis/senescence axis: Nonhuman/Lead optimization studies. Alzheimer's & Dementia. 2020;16:e044718.
Razazan, Atefeh, Karunakar, Prashantha, Mishra, Sidharth P, Sharma, Shailesh, Yadav, Hariom,. Fenchol ameliorates Alzheimer’s disease like phenotypes by modulating microbiome/proteolysis/senescence axis. 2020 Alzheimer's Association International Conference. 2020;:.
Pooventhiran, T, Bhattacharyya, Utsab, Rao, D Jagadeeswara, Chandramohan, Vivek, Karunakar, Prashantha, Irfan, Ahmad, Mary, Y Sheena, Thomas, Renjth,. Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate. Structural Chemistry. 2020;31:2475-2485.
Jayadevappa, Mangala K, Karkera, Pooja R, Siddappa, Ravikumar Y, Telkar, Sandeep, Karunakara, Prashantha,. Investigation of plant flavonoids as potential dengue protease inhibitors. Journal of Herbmed Pharmacology. 2020;9(4):366-373.
Karunakar, Prashantha, Mishra, Sidharth P, Razazan, Atefeh P, Sharma, Shailesh, Yadav, Hariom,. Identification of potential agonist of human and mouse FFAR2 by homology modeling and molecular docking study approach. The FASEB Journal. 2020;34(S1):1-1.
Rajamma, Devika Bhai, Iyer, Girija Chamarahalli Ramakrishna, Madar, Inamul Hasan, Karunakar, Prashantha,. Identification of (1E, 3E)-1, 3-bis [(2-hydroxy-1-naphthyl) methylene] Urea as Mutated MAP Kinase P38 Inhibitor through Reverse Pharmacophore Mapping Approach: Green Synthesis, Characterisation and in silico Docking analysis. Indian Journal of Pharmaceutical Education and Research. 2019;53(2):276-285.
Kumar, HP Prashanth, Panda, Prachurjya, Karunakar, Prashantha, Shiksha, Kotikalapudi, Singh, Laxmi, Ramesh, Nijalingappa, Usha, Talambedu, Middha, Sushil Kumar,. Potential Cyclooxygenase (COX-2) enzyme inhibitors from Myrica nagi-from in-silico to in-vitro investigation. Pharmacognosy Magazine. 2019;15(64):.
Veerabhadraswamy Maruthyunjaya, Bhimashankar B Molkere, Prashantha Karunakar,. Synthesis and Evaluation of Insecticidal Activity of Bis-Semicarbazones and Bis-(5-Aryl substituted-1, 3, 4-Oxadiazole). Indian Journal of Pharmaceutical Education and Research. 2019;53(3s):s423-s432.
Padmini Arunkumar, Kumar Sankaran, Shivangi Naik and Prashantha Karunakar,. Predicting Pathogenic Missense Mutations in the Human c-MET Oncogene Using a Nucleotide Scoring Function - An approach using mammalian nucleotide sequences. International Journal of Fundamental & Applied Sciences. 2018;7(4):6-9.
Karunakar, Prashantha, Arunkumar, Padmini, Sankaran, Kumar, Naik, Shivangi,. Predicting Pathogenic Missense Mutations in the Human c-MET Oncogene Using a Nucleotide Scoring Functio. International Journal of Fundamental and Applied Sciences (IJFAS). 2018;7(4):73-76.
Karunakar, Prashantha, Kumar, KV Shiva, Kumar, C Sunil, Murthy, V Krishna, Girija, CR,. In silico designing of DASM with Pyrazofurin, a possible drug candidate for Anthrax. International Journal of Fundamental and Applied Sciences (IJFAS). 2017;6(4):34-39.
Bhimashankar B. Molkere, M. Veerabhadraswamy, Prashantha Karunakar,. Synthesis and Evaluation of Biological Activities of Triazoles. Journal of Pharmaceutical, Chemical and Biological Sciences. 2017;4(4):512-521.
Molkere, Bhimashankar B, Veerabhadraswamy, M, Karunakar, Prashantha,. Synthesis and Evaluation of Biological Activities of Triazoles. Journal of Pharmaceutical, Chemical and Biological Sciences. 2017;4(4):512- 521.
Vivek, Megha, Karunakar, Prashantha,. Evaluation of plants extracts for acetylcholinesterase inhibitory activity and GSK-3. International Journal of Advanced scientific Research Publications. 2016;2(3):29-34.
Nagaraj, Kruthika M, Karunakar, Prashantha,. Inhibition of Leukocidin F of Staphylococcus aureus: An In Silico Approach. International Journal of Computational Biology and Bioinformatics. 2016;1(1):16-20.
Tanashree Kalghatgi, Vishaly K, Divya MS, Prashantha Karunakar,. Evaluation of Antioxidant, Antimicrobial and Anti-breast Cancer Activity of Butea monosperma, Nigella sativa and Centella asiatica: An in vitro and in silico approach. International Journal of Computational Biology and Bioinformatics. 2016;1(1):1-6.
Manjegowda, DS, Karunakar, P, Ramachandra, NB,. Effect of structural changes in proteins derived from GATA4 nonsynonymous single nucleotide polymorphisms in congenital heart disease. Indian Journal of Pharmaceutical Sciences. 2015;77(6):735.
Kiran, KS, Kokila, MK, Guruprasad, R, Karunakar, Prashantha, Pasha, MA, Lokanath, N, Naveen, S,. Crystal and molecular docking studies of 3-[Bis-(2-hydroxy-4, 4-dimethyl-6-oxo-cyclohex-1-enyl)-methyl] benzonitrile with focal adhesion kinase inhibitors. Der Pharma Chemica. 2015;7(9):268-273.
Krithika, Rajesh, Jyothilakshmi, Vasavan, Prashantha, Karunakar, Verma, Ramtej J,. Mechanism of protective effect of phyllanthin against carbon tetrachloride-induced hepatotoxicity and experimental liver fibrosis in mice. Toxicology mechanisms and methods. 2015;25(9):708-717.
Karunakar, Prashantha, Krishnamurthy, Venkatappa, Girija, Chamarahalli Ramakrishnaiyer, Krishna, Venkatarangaiah, Vasundhara, Dindare Eswarappa, Begum, Noor Shahina, Syed, Akheel Ahmed,. In silico docking analysis of piperine with cyclooxygenases. Journal of Biochemical Technology. 2014;3(5):122-127.
Shivakumar, KV, Karunakar, Prashantha, Chatterjee, Jhinuk,. Inhibition of NarL of Mycobacterium tuberculosis: an in silico approach. Interdisciplinary Sciences: Computational Life Sciences. 2014;6:292-299.
Karunakar, Prashantha, Girija, Chamarahalli Ramakrishnaiyer, Krishnamurthy, Venkatappa, Krishna, Venkatarangaiah, Shivakumar, Kunigal Venugopal,. In Silico antitubercular activity analysis of benzofuran and naphthofuran derivatives. Tuberculosis Research and Treatment. 2014;2014(1):697532.
Prashantha, K,. Crystal structure and molecular docking analysis of furan derivatives having pharmaceutical significance and determination of assembly of chains in protein targets. . 2014;:.
Karunakar, Prashantha, Krishnamurthy, V, Girija, CR, Krishna, V, Vaidya, VP, Yamuna, AJ,. Ethyl 5-bromo-3-ethoxycarbonylamino-1-benzofuran-2-carboxylate. Structure Reports. 2013;69(3):o342-o342.
Karunakar, Prashantha, Krishnamurthy, V, Girija, CR, Krishna, V,. CRYSTAL STRUCTURE AND MOLECULAR DOCKING ANALYSIS OF DIFURFURYLIDENE SUCCINIC ACID WITH CYCLOOXYGENASES. International Journal of Pharma and Bio Sciences. 2013;4(3):912 – 921.
Bhattacharjee, Biplab, Simon, Rose Mary, Gangadharaiah, Chaithra, Karunakar, Prashantha,. Chemogenomics profiling of drug targets of peptidoglycan biosynthesis pathway in Leptospira interrogans by virtual screening approaches. Journal of microbiology and biotechnology. 2013;23(6):779-784.
Yamuna, AJ, Karunakar, P, Girija, CR, Vaidya, VP, Krishnamurthy, V,. Ethyl 3-amino-5-bromo-1-benzofuran-2-carboxylate. Structure Reports. 2013;69(5):o775-o775.
Tiekink, ERT, Weil, M,. Prashantha Karunakar, V. Krishnamurthy, CR Girija, V. Krishna, VP Vaidya and AJ Yamuna. Acta Cryst. 2013;69:o342.
Shalini, S, Girija, C R, Karunakar, Prashantha, Jotani, M M, Venugopala, K N, Venkatesha, T V,. Synthesis, characterisation, docking analysis and biological evaluation of ,′-bis(p-dimethylaminoÂbenzylidene)--methylcyclohexanone. Indian Journal of Chemistry -Section B (IJC-B). 2013;(2):282-288.
Preu, Julia, Panjikar, Santosh, Morth, Preben, Jaiswal, Rohan, Karunakar, Prashantha, Tucker, Paul A,. The sensor region of the ubiquitous cytosolic sensor kinase, PdtaS, contains PAS and GAF domain sensing modules. Journal of structural biology. 2012;177(2):498-505.
Bhattacharjee, Biplab, Vijayasarathy, Sandhya, Karunakar, Prashantha, Chatterjee, Jhinuk,. Comparative reverse screening approach to identify potential anti-neoplastic targets of saffron functional components and binding mode. Asian Pacific Journal of Cancer Prevention. 2012;13(11):5605-5611.
Karunakar, Prashantha, Krishnamurthy, Venkatappa, Girija, Chamarahalli Ramakrishnaiyer, Krishna, Venkatarangaiah, Vasundhara, Dindare Eswarappa, Begum, Noor Shahina, Syed, Akheel Ahmed,. Molecular interaction of fenvalarate with actin. Bioinformation. 2011;7(5):234.
Karunakar, Prashantha, Ravindranath, B.S., Ahmed, W. A. Sadik,. Computational Approach to Design a Potential Inhibitor for HIV and Mycobacterium. Advanced BioTech. 2010;10(4):23-25.
Dinesh, SM, Karunakar, Prashantha, Ramachandra, C Amruthavalli3and Nallur B,. Analysis and homology modeling of proteins derived from NKX2. 5 non-synonymous single nucleotide polymorphisms involved in congenital heart disease. Nature Sci. 2010;8:27-38.
Girija, CR, Karunakar, P, Poojari, CS, Begum, NS, Syed, AA,. Molecular docking studies of curcumin derivatives with multiple protein targets for procarcinogen activating enzyme inhibition. J Proteomics Bioinform. 2010;3(6):200-203.
Pereira, Divya Joseph, Kumar, BS Mahanash, Karunakar, Prashantha, Tharannum, Seema,. Anticancer, Anticollagenase and in Silico Docking Studies of Anethum sowa L. Herb Oil against HCT 116 Human Colorectal Cancer Cell Line. . ;:.
Karunakar, Prashantha, Girija, Chamarahalli Ramakrishnaiyer, Krishnamurthy, Venkatappa, Krishna, Venkatarangaiah, Shivakumar, Kunigal Venugopal,. Research Article In Silico Antitubercular Activity Analysis of Benzofuran and Naphthofuran Derivatives. . ;:.
Prabhavathi, H, Dasegowda, KR, Renukananda, KH, Karunakar, Prashantha, Lingaraju, K, Naika, H Raja,. BI 1482694 is an investigational anti-cancer drug. Menu. . ;:.
Mishra, SP, Karunakar, P, Taraphder, S, Yadav, H,. Free fatty acid receptors 2 and 3 as microbial metabolite sensors to shape host health: pharmacophysiological view. Biomedicines. 2020; 8: 154. . ;:.
Dangroo, Nisar A, Singh, Jasvinder, Gupta, Nidhi, Bashir, Fahmida, SM, Basavarajaiah, Karunakar, Prashantha,. Design and Synthesis of Novel C-3 and C-20 Derived Analogs of Betulinic Acid as Potent Cytotoxic Agents: A Combination of Experimental and in Silico Molecular Docking and Md Simulation Studies. Available at SSRN 4924406. ;:.
Kumar, K Harish, Sridhar, BT, Karunakar, Prashantha, Nagesh, GY, Gupta, Nidhi, Jisha, SP, Basavarajaiah, SM,. Investigation of Novel 2â€(Chloromethyl)â€5â€(3, 5â€Disubstitutedâ€1Hâ€Indolâ€2â€yl)â€1, 3, 4â€Oxadiazole Derivatives as In Vitro, and In Silico Bioactivity Potential: Antiâ€inflammatory, Antiâ€TB and Antioxidant Activities Study. ChemistrySelect. ;9(33):.
Invited talk/ Oral or Poster Presentation in workshop/ conference:
Atefeh Razazan, Prashantha Karunakar, Sidharth P Mishra, Shailesh Sharma, Hariom Yadav, Fenchol ameliorates Alzheimer’s disease like phenotypes by modulating microbiome/proteolysis/senescence axis, Alzheimer's Association International Conference (AAIC), July 29, 2020.
Prashantha Karunakar, Sidharth P. Mishra, Atefeh P. Razazan, Shailesh Sharma, Hariom Yadav, Identification of potential agonist of human and mouse FFAR2 by homology modeling and molecular docking study approach, Experimental Biology 2020 Meeting Abstracts, 2020.
Invited as a resource person to handle one day session with hands-on 'Protein sequence analysis' on AICTE sponsored two weeks FDP on "High Performance Computing, Grid and Cloud Computing" at Department of Master of Computer Applications (MCA), New Horizon College of Engineering, Bangalore on 5-Dec-2019
Oral presentation on 'In silico modeling and virtual screening for identification of inhibitors for Spore Wall Protein-5 in Nosema bombycis' at 1st International Conference on Life, Chemical and Health Sciences (ICLCHS-2019) Organized by Department of Life Sciences Ramaiah College of Arts, Science & Commerce, Bangalore on 25-October, 2019
Ayur-Informatics: A Rational Approach for One-day workshop at Dept of Biotechnology and Dept of Chemistry, New Horizon College of Engineering, Bangalore 14-10-2017
Protein crystallography and hands on Proteomics tools; One day training programme on Genomics and Proteomics, Garden City College of Science and Management Studies, Bangalore, India, 3rd May 2014 (Oral and practical)
EMBO Practical Course on Computational Structural Biology - from data to structure to function” from 07-11 April 2014 at EMBL – EBI, Hinxton, UK.
Towards automated determination of the number of molecules in the asymmetric unit of a protein crystal, Prashantha Karunakar, V Krishnamurthy, C R Girija, V Krishna, Santosh Panjikar, Paul A. Tucker, Roshan Makam (Poster)
Protein-Ligand Docking; 2 day National Level Technical Symposium and Hands-on-Workshop: Tools for Biopharmaceutical, Clinical and Health Care Industries, Dept of Biotechnology, New Horizon College of Engineering, Bangalore, 13-14 April 2013 (Oral and practical)
5. Protein structure prediction (Secondary and tertiary) and Protein Docking; Bioinformatics: Methods and Approaches for Insect research, National Bureau of Agriculturally Important Insect (NBAII), Bangalore, 29th November 2012 (Oral and practical)
6. National Conference on Challenges and Opportunities for Chemical Sciences in 21st Century [COCS21C-2012], Karnataka State Higher Education Council (KSHEC) in Association with Tumkur University on 8th Jan, 2013 at KSHEC, Bengaluru, India
In silico Docking analysis of difurfurylidene succinic acid with Cyclooxygenases, C R Girija, Prashantha Karunakar, V Krishnamurthy, V Krishna (Best Oral Presentation award)
41th National Seminar on Crystallography held on 08-10, October, 2012 at University of Madras, Chennai, India
Crystal Structure of EthylNaphtho[2,1-b]furan-2-carboxylate; Prashantha Karunakar, V Krishnamurthy, C R Girija, V Krishna, V P Vaidya, K Kusuma (Poster)
8. National conference on Biotechnology and Society-NCBS2012 on 19-20, April, 2012 at Kuvempu University, Shankarghatta, India.
Determining empirically the number of molecules in the asymmetric unit of a Protein; Prashantha Karunakar, V Krishnamurthy, C R Girija, V Krishna, Santosh Panjikar, Paul A. Tucker, Roshan Makam (Oral)
9. National Conference on Recent Advances in Health, Agriculture and Environmental Biotechnology (HAEB - 2012) on 11-13, April, 2012 at M.S. Ramaiah Institute of Technology, Bangalore.
In silico Docking analysis of Piperine with Cyclooxygenases; Prashantha Karunakar, V Krishnamurthy, C R Girija, V Krishna, D. E. Vasundara, Noor Shahina Begum, Akheel Ahmed Syed (Oral)
10. 40th National Seminar on Crystallography held on 26 – 28 November, 2011 at Department of Physics, Osmania University, Hyderabad, India
Determining Empirically the Number of Molecules in the Asymmetric Unit of a Protein; Prashantha Karunakar, V Krishnamurthy, C R Girija, V Krishna, Santosh Panjikar, Paul A. Tucker, Roshan Makham (oral)
11. International conference on “Global challenge’s – The role of Chemistry in giving their solutions” held on 11 – 15 June, 2011 at Bangkok, Thailand
Studies of dibenzazepine derivatives as potential inhibitors of tryptophan hydroxylase - in silico approach; C. R. Girija*, Prashantha Karunakar and Akheel Ahmed Syed (* poster presenter)
12. UGC Sponsored seminar “From Molecule to Market-Drug discovery, development, clinical research and ethics”, 8-9 December 2010, Dept of Chemistry, Mount Carmel College, Bangalore, India
Molecular Docking Analysis of Acridine - A Potential Inhibitor of Tryptophan Hydroxylase; Nandana B.S*, Prashantha Karunakar, C. R. Girija, T.V Venkatesha, Akheel Ahmed Syed.(*Oral presenter)
13. AsCA 2010, The 10th conference of the Asian Crystallographic Association, October 31 – November 3, 2010, BEXCO, Busan, Korea. MS07-P46
Drug Protein Interaction Studies of an Antiviral agent, Garcinol: Targeting HIV-1 Protease by in silico Approach; Prashantha Karunakar, Girija C. R, Shalini S*, Noor Shahina Begum, Akheel Ahmed Syed.(*poster presenter)
14. International Conference on Frontiers in Biological Sciences (Incofibs-2010), October 01-03, 2010, NIT, Rourkela, India. Section : Bioinformatics & RNAi
In silico Docking Studies of Fenvalarate against Neural Cytoskeletal Protein Actin as Potential Insecticidal Target; Prashantha Karunakar, V. Krishnamurthy, C. R. Girija, V. Krishna, Noor Shahina Begum Akheel Ahmed Syed. (Oral)
15. 60th Annual conference of association of occupational health Karnataka, June 26-27, 2010, JJM Medical College, Davangere, India
In silico Drug Designing Approach to Develop a Potent Furin Inhibitors against an occupational disease – Anthrax; Prashantha Karunakar, V. Krishna Murthy, C.R Girija and V. Krishna. (Oral)
16. 4th International symposium on Recent trends in Macromolecular structure and function ISRTMSF-2010, January 21-23, 2010, University of Madras, Chennai, India. P-25
Computational Approach towards analyzing Cyclohexanone Derivative for Pharmaceutical Significance; Prashantha.K, Chetan S Poojari, Shalini.S, Girija C.R. (poster)
17. 5th International conference on Biopesticdes stakeholders: perspective, 26-30 April 2009, TERI, New Delhi, India
Virtual Screening of Candidate Botanicals against Neural Cytoskeleton Protein Actin, as the Potential Insecticidal Target; Prashantha Karunakar, Sanjukta Behera* , Rajendra Hegde and Anil kush (*poster presenter)
18. International Conference on Molecular Mechanisms and Systems Biology, 2–4 May 2008, PES Institute of Technology, Bangalore, India
In silico design of Pancreatic lipase inhibitor as a drug; Chandana Mahesh, Sanjana Mangalagiri, Smitha Shankar, Vikas Rao Pejaver*, Prashantha Karunakar (*poster presenter)
19. Bangalore Bio2008, April 24-26, 2008, Bangalore, India
Molecular Docking studies on Curcumin derivatives as procarcinogen activating enzyme inhibitory agents; Chamarahalli Ramakrishnaiyer Girija, Chetan Sundar Poojari, Prashantha Karunakar (poster)
20. National conference on Biotechnology and Clinical research in India, March 7-8, 2008 Indian Institute of Science (IISc), Bangalore, India
Computational approach to design a potential inhibitor for HIV and Mycobacterium tuberculosis; Prashantha.K, Sadik Ahmed W A, Ravindranath B S (Best Poster award)
21. International symposium on recent trends in macromolecular structure and function on January 07-11, 2008, University of Madras, Chennai, India
Combinatorial approach to succinic acid derivatives as COX-1 inhibitors and anti-inflammatory agents; C.R. Girija, S Poojari, Prashantha.K. and Noor Shahina Begum (poster)
Participation in Conferences / Workshops:
1. Participated in National Workshop on Advanced Molecular Techniques in Biosciences held from June 24–30, 2013 organized by Department of Biotechnology, PES Institute of Technology, Bangalore.
2. Participated in National Workshop on three-dimensional structure (drug) determination using X-ray crystallography at Manipal University, Manipal on 26th February 2013.
3. Participated in the workshop on “Workshop on Advances in Biological Sciences” Jan 20-22, 2011 held at Poornaprajna Institute of Scientific Research, Bangalore, India.
4. Participated in First International Symposium on Structural Systems Biology, September 24-25, 2009, University of Hamburg, Hamburg, Germany
5. Participated in National Level Seminar on “Advances in biochemistry, biotechnology and nano-technology-science for the 21st century”, November 13-14, 2006, Dept. of Biochemistry and Food technology, P.G. Center, Shivagangotri, Davangere, India
6. Participated in International seminar on “Genome variation and pharmacogenomics” March 17-19, 2007 at Manipal Academy of Higher Education, Manipal, India
7. Participated in the 3rd national workshop on “Protein Modeling and Drug Design” March 24 - 26, 2007 at Department of Biochemistry, Sri Krishnadevaraya University, Anantapur, India
1. Awarded with National Level Scholarship program during Post graduate studies– (Dec 2005 – May 2007)
2. Received EMBO travel grant towards participation in EMBO Practical Course on Computational Structural Biology - from data to structure to function” from 07-11 April 2014 at EMBL – EBI, Hinxton, UK
3. Lifetime member of Indian Crystallographic Association
4. Organized a workshop on “Applied Bioinformatics” at Vittal Mallya Scientific Research Foundation on Nov 8, 2008.
Image Gallery
A view of the N—H⋯O and C—H⋯O interactions (dotted lines) in the crystal structure of the Ethyl 5-bromo-3-ethoxycarbonylamino-1-benzofuran-2-carboxylate . H atoms non-participating in hydrogen-bonding were omitted for clarity.
Interaction of all ligands at the active site of NarL.
Movement of ligand interaction from pocket-1 (orange) to pocket-2 (blue)
Protein-Protein interaction
RMSD and heatmap of APO and ligand-protein complex
RMSD and RMSF plots
DNA - ligand interaction
Cellulose matrix - ligand interaction