Rational drug discovery and development requires a streamlined interdisciplinary effort from researchers working in a specialized area. From active collaboration, drug discovery process can be and has been shortened to a great extent by addressing bottlenecks in drug discovery (such as high-throughput screening, specificity, and chemoresistance). Our research efforts focus on some of these unaddressed questions that would potentially contribute to chemotherapy. On the other hand, while novel compounds are in great demand to be translated as a drug, nevertheless, it is hard to predict its activity (anti-cancer, anti-diabetic or as any chemotherapeutic) in the first instance. Therefore, as a pre-screening step we first try to understand the cellular response of the ligand or its affinity to a molecular target by applying different computational and experimental methods (biochemical, molecular biology, microscopy or on cell lines).

The following are the areas and related publications presently we focus on:

Interdisciplinary approaches in the development of cancer therapeutics

• Konkimalla VB. An Improved Comparative Docking Approach For Developing Specific Glycogen Phosphorylase Inhibitors Using Pentacyclic Triterpenes. Current Topics in Medicinal Chemistry. 2016. PubMed PMID: 27823565.
• Dash TK, Konkimalla VB. Selection of P-Glycoprotein Inhibitor and Formulation of Combinational Nanoformulation Containing Selected Agent Curcumin and DOX for Reversal of Resistance in K562 Cells. Pharm Res. 2017;34(8):1741-1750.
• Dash TK, Konkimalla VB. Selection and optimization of nano-formulation ofP-glycoprotein inhibitor for reversal of doxorubicin resistance in COLO205 cells. J Pharm Pharmacol. 2017;69(7):834-843.
• Dash TK, Konkimalla VB. Comparative Study of Different Nano-Formulations of Curcumin for Reversal of Doxorubicin Resistance in K562R Cells. Pharmaceutical Research. 2017;34(2):279-289.
• Dash TK, Konkimalla VB. Formulation and Optimization of Doxorubicin and Biochanin A Combinational Liposomes for Reversal of Chemoresistance. AAPS PharmSciTech. 2017;18(4):1116-1124.
• Patil R, Bhand S, Konkimalla VB, Banerjee P, Ugale B, Chadar D, Saha SK, Praharaj PP, Nagaraja, CM, Chakrovarty D. Molecular association of 2-(n-alkylamino)-1, 4-naphthoquinone derivatives: Electrochemical, DFT studies and antiproliferative activity against leukemia cell lines. Journal of Molecular Structure. 2016; 1125,272-281. 
• Pal S, Konkimalla VB*, Kathwate L, Rao SS, Gejji SP, Puranik V, Weyhermueller T and Salunke-Gawali S. Targeting chemorefractory COLO205 (BRAF-V600E) cell lines using substituted benzo[a]phenoxazines.  RSC Adv. 2015; 5: 82549-82563.

Understanding cellular response to different ligands deriving its implications

• Pal S, Salunke-Gawali S, Konkimalla VB. Induction of Autophagic Cell Death In Apoptosis-Resistant Pancreatic Cancer Cells Using Benzo [α] Phenoxazines Derivatives, 10-Methyl-Benzo [α] Phenoxazine-5-One And Benzo [α] Phenoxazine-5-One. Anti-cancer agents in medicinal chemistry. 2016,
• Pal S and Konkimalla VB. Sulforaphane regulates phenotypic and functional switching of both induced and spontaneously differentiating human monocytes. International Immunopharmacology. 2016; 35:85-98.
• Pal S and Konkimalla VB. Data on sulforaphane treatment mediated suppression of autoreactive, inflammatory M1 macrophages. Data Brief. 2016 Apr 25;7:1560-4. – Supplementary data of publication from International Immunopharmacology
• Pal S and Konkimalla VB. Hormetic potential of Sulforaphane (SFN) in switching cells' fate towards survival or death. Mini Rev Med Chem. 2016;16(12):980-95.

Selected Publications

• Konkimalla VB. An Improved Comparative Docking Approach For Developing Specific Glycogen Phosphorylase Inhibitors Using Pentacyclic Triterpenes. Curr Top Med Chem. 2017;17(14):1640-1645.
• Dash TK, Konkimalla VB. Comparative Study of Different Nano-Formulations of Curcumin for Reversal of Doxorubicin Resistance in K562R Cells. Pharmaceutical Research. 2016 Nov 4. PubMed PMID: 27815791.
• Dash TK, Konkimalla VB. Formulation and Optimization of Doxorubicin and Biochanin A Combinational Liposomes for Reversal of Chemoresistance. AAPS PharmSciTech. 2016.
• Pal S, Salunke-Gawali S, Konkimalla VB. Induction of Autophagic Cell Death In Apoptosis-Resistant Pancreatic Cancer Cells Using Benzo [α] Phenoxazines Derivatives, 10-Methyl-Benzo [α] Phenoxazine-5-One And Benzo [α] Phenoxazine-5-One. Anti-cancer agents in medicinal chemistry. 2016,
• Pal S and Konkimalla VB. Sulforaphane regulates phenotypic and functional switching of both induced and spontaneously differentiating human monocytes. International Immunopharmacology. 2016; 35:85-98.
• Pal S, Konkimalla VB*, Kathwate L, Rao SS, Gejji SP, Puranik V, Weyhermueller T and Salunke-Gawali S. Targeting chemorefractory COLO205 (BRAF-V600E) cell lines using substituted benzo[a]phenoxazines.  RSC Adv. 2015; 5: 82549-82563.
• Malwal SR, Dharmarajan S, Perumal Y, Konkimalla VB and Chakrapani H. Design, Synthesis and Evaluation of Thiol-Activated Sources of Sulfur Dioxide (SO2) as Antimycobacterial Agents. Journal of Medicinal Chemistry. 2012; 55(1):553-7.
• Polier G, Ding J, Konkimalla VB, Eick D, Ribeiro N, Köhler R, Giaisi M, Efferth T, Desaubry L, Krammer PH, Li-Weber M. Wogonin and related natural flavones are inhibitors of CDK9 that induce apoptosis in cancer cells by transcriptional suppression of Mcl-1. Cell Death and Disease. 2011; 2(7):e182.
• Youns M, Fu YJ, Zu YG, Kramer A, Konkimalla VB, Radlwimmer B, Sültmann H, Efferth T. Sensitivity and resistance towards isoliquiritigenin, doxorubicin and methotrexate in T cell acute lymphoblastic leukaemia cell lines by pharmacogenomics. Naunyn Schmiedebergs Archives in Pharmacology. 2010; 382(3):221-34.
• Konkimalla VB, Blunder M, Korn B, Soomro SA, Jansen H, Chang W, Posner GH, Bauer R and Efferth T. Effect of artemisinins and other endoperoxides on nitric oxide-related signalling pathway in RAW 264.7 mouse macrophage cells. Nitric Oxide. 2008; 19:184-191.
• Efferth T, Konkimalla VB, Wang YF, Sauerbrey A, Meinhardt S, Zintl F, Mattern J and Volm M. Prediction of Broad Spectrum Resistance of Tumors towards Anticancer Drugs`. Clinical Cancer Research. 2008; 14(8):2405-2412.
• Konkimalla VB and Efferth T. Anti-cancer natural product library from traditional Chinese medicine. Combinatorial Chemistry and High Throughput Screening. 2008; 11(1):7-15.
• Kelter G, Steinbach D, Konkimalla VB, Tahara T, Taketani S, Fiebig HH and Efferth T. Role of transferrin receptor and the ABC transporters ABCB6 and ABCB7 for resistance and differentiation of tumor cells towards artesunate. PLoS ONE. 2007; 2(8): e798.
• Konkimalla VB and Chandra N. Determinants of histamine recognition: implications for the design of antihistamines. Biochemical and Biophysical Research Communications. 2003; 309(2):425-31.

Review articles

• Pal S and Konkimalla VB. Hormetic potential of Sulforaphane (SFN) in switching cells' fate towards survival or death. Mini Rev Med Chem. 2015; Accepted.
• Satpathy R, Konkimalla VB, Ratha J. Application of bioinformatics tools and databases in microbial dehalogenation research: A review. Applied Biochemistry and Microbiology. 2015; 51(1):11-20.
• Dash TK and Konkimalla VB. Nanoformulations for Delivery of Biomolecules; Focus on Liposomal Variants for siRNA Delivery. Critical reviews in therapeutic drug delivery system. 2013; 30(6):469-493.
• Dash TK and Konkimalla VB. Polymeric modifications and its implication in drug delivery: Poly-ε-caprolactone (PCL) as a model polymer. Molecular Pharmaceutics. 2012; 9(9):2365-79.
• Dash TK and Konkimalla VB. Poly-ε-caprolactone based formulations for drug delivery and tissue engineering: a review. Journal of Controlled Release. 2011; 21; 158(1): 15-33.
• Konkimalla VB and Efferth T. Evidence-Based Chinese Medicine for Cancer Therapy. Journal of Ethnopharmacology. 2008; 116(2):207-210.
• Efferth T, Li PC, Konkimalla VB and Kaina B. From traditional Chinese medicine to rational cancer therapy. Trends in Molecular Medicine. 2007; 13(8):353-361.
• Efferth T, Fu YJ, Zu YG, Schwarz G, Konkimalla VB and Wink M. Molecular target-guided tumor therapy with natural products derived from traditional Chinese medicine. Current Medicinal Chemistry. 2007; 14(19):2024-2032.
• Konkimalla VB, Suhas VL, Chandra NR, Gebhart E and Efferth T. Diagnosis and therapy of oral squamous cell carcinoma. Expert Reviews in Anticancer Therapy. 2007; 7(3):317-329.

Book Chapters

• Dash TK and Konkimalla VB. Modification of Cyclodextrin for Improvement of Complexation and Formulation Properties. In: Wiley-Scriverner. In: Handbook of Polymers for Pharmaceutical Technologies: Biodegradable Polymers. Vol 3. 2015, pp 205-224. ISBN: 978-1-119-04142-9.
• Konkimalla VB. Predicting Cross-Reactivity from Computational Studies for Pre-evaluation of Specific Hepatic Glycogen Phosphorylase Inhibitors. In: Springer. Bioinformatics and Biomedical Engineering. In: Lecture Notes in Computer Science. 2015, 9044, pp 674-682.
• Konkimalla VB, Kramer A, Fu Y and Efferth T. Identification of Molecular Determinants for Cytotoxicity of Isoloquiritigenin from Liquorice (Glycyrrhiza glabra) towards Leukemia Cell Lines. In: Wiley-VCH. Deutsche Forschungsgemeinschaft (DFG) (Ed.), G. Eisenbrand (Ed.). In: Risk Assessment of Phytochemicals in Food: Novel Approaches. 2010, pp 429. ISBN: 978-3-527-32929-8.
• Konkimalla VB and Efferth T. Molecular mechanisms and interactions responsible for radio- and chemoresistance of tumors and their modulation by natural products from Ayurveda. In: R. Arora (Ed.) Herbal Medicine. A cancer chemopreventive and therapeutic perspective. 2010, 7(33). 511-530.