The Translational Biology Laboratory

Synthetic and natural inhibitors of Mortalin for cancer therapy (2024). Shruti Kaushal^*, Samriddhi Gupta1^*, Seyad Shefrin2, Dhvani Sandip Vora, Sunil C. Kaul, Durai Sundar, Renu Wadhwa^$ and Jaspreet Kaur Dhanjal^$. Cancers, 16(20):3470 (*equal contribution, ^$co-corresponding authors).

TCR-ESM: Employing protein language embeddings to predict TCR-peptide-MHC binding (2024). Shashank Yadav, Dhvani Sandip Vora, Durai Sundar, Jaspreet Kaur Dhanjal^$. Computational and Structural Biotechnology Journal, 23:165-173 ( ^$corresponding author).

Effect of Withaferin-A, Withanone, and Caffeic Acid Phenethyl Ester on DNA Methyltransferases: Potential in Epigenetic Cancer Therapy (2024). Vipul Kumar, Jaspreet Kaur Dhanjal, Anissa Nofita Sari, Mallika Khurana, Sunil C. Kaul and Renu Wadhwa, Durai Sundar. Current Topics in Medicinal Chemistry, 24(4):379-391.

Editorial: Genomic alteration landscapes of aging, metabolic disorders, and cancer: Emerging overlaps and clinical importance (2023). Jaspreet Kaur Dhanjal,^$ Rajkumar Singh Kalra, Dhanendra Tomar, Amrendra K Ajay. Frontiers in Genetics , 13:1102953 ( ^$corresponding author).

Cancer chemotherapy and beyond: Current status, drug candidates, associated risks and progress in targeted therapeutics (2023). Uttpal Ananda, Abhijit Dey, Arvind K. Singh Chandel, Rupa Sanya, Amarnath Mishra, Devendra Kumar Pandey, Valentina De Falco, Arun Upadhyay, Ramesh Kandimalla, Anupama Chaudhary, Jaspreet Kaur Dhanjal, Saikat Dewanjee, Jayalakshmi Vallamkondu and José M.Pérez de la Lastra. Genes & Diseases, 10(4):1367-1401.

Protein structure readouts of cancer drivers for precision medicine (2022). Jaspreet Kaur Dhanjal, Rajkumar Singh Kalra. Current Protein & Peptide Science, 23(3):158-165.

A low dose combination of Withaferin A and Caffeic acid phenethyl ester possesses anti-metastatic potential in vitro: molecular targets and mechanisms (2022). Anissa Nofita Sari, Jaspreet Kaur Dhanjal, Ahmed Elwakeel, Vipul Kumar, Hazna Noor Meidinna, Huayue Zhang, Yoshiyuki Ishida, Keiji Terao, Durai Sundar, Sunil C. Kaul and Renu Wadhwa. Cancers, 14(3):787.

A monoclonal antibody against annexin A2 targets stem and progenitor cell fractions in tumors (2022). Rajkumar Sing Kalra, Gaurav S. Soman, Pradeep B. Parab, Avinash M. Mali, Sagar S. Varankar, Rutika R. Naik, Swapnil C. Kamble, Jaspreet Kaur Dhanjal, Sharmila A. Bapat. Translational Oncology, 15(1):101257.

Computational approaches for designing highly specific and efficient sgRNAs (2022). Jaspreet Kaur Dhanjal, Dhavni Sandeep Vora, Navaneethan Radhakrishnan, Durai Sundar. Methods in Molecular Biology, 2349:147-166.

Caffeic acid phenethyl ester (CAPE) confers wild type p53 function in p53Y220C mutant: Bioinformatics and experimental evidence (2021). Navaneethan Radhakrishnan, Jaspreet Kaur Dhanjal, Anissa Nofita Sari, Yoshiyuki Ishida, Keiji Terao, Sunil C. Kaul, Durai Sundar and Renu Wadhwa. Discover Oncology, 12:64.

Computational and in vitro experimental analyses of the anti-COVID-19 potential of Mortaparib and Mortaparib^Plus (2021). Vipul Kumar, Anissa Nofita Sari, Hazna Noor Meidinna, Jaspreet Kaur Dhanjal, Chandru Subramani, Brohmomoy Basu, Sunil C. Kaul, Sudhanshu Vrati, Durai Sundar, Renu Wadhwa. Bioscience reports, 41(10):BSR20212156.

Cell Transdifferentiation and Reprogramming in Disease Modeling: Insights into the Neuronal and Cardiac Disease Models and Current Translational Strategies (2021). Rajkumar Singh Kalra*, Jaspreet Kaur Dhanjal*^$, Mriganko Das, Birbal Singh and Rajesh Naithani. Cells, 10:2558 (* equal contribution, ^$ corresponding author).

Mutant p53L194F harboring luminal-a breast cancer cells are refractory to apoptosis and cell cycle arrest in response to MortaparibPlus, a multimodal small molecule (2021). Ahmed Elwakeel, Anissa Nofita Sari, Jaspreet Kaur Dhanjal, Hazna Noor Meidinna, Durai Sundar, Sunil C. Kaul and Renu Wadhwa. Cancers, 13(12):3043.

Molecular mechanism of anti-SARS-CoV2 activity of Ashwagandha-derived withanolides (2021). Jaspreet Kaur Dhanjal, Vipul Kumar, Sukant Garg, Chandru Subramani, Shubhra Agarwal, Jia Wang, Huayue Zhang, Ashish Kaul, Rajkumar Singh Kalra, Sunil C. Kaul, Sudhanshu Vrati, Durai Sundar and Renu Wadhwa. International Journal of Biological Macromolecules, 184:297-312.

COVID-19, Neuropathology, and Aging: SARS-CoV-2 neurological infection, mechanism, and associated complications (2021). Rajkumar Singh Kalra, Jaspreet Kaur Dhanjal, Avtar Singh Meena, Vishal C Kalel, Birbal Singh, Surya Dahiya, Saikat Dewanjee and Ramesh Kandimalla. Frontiers in Aging Neuroscience, 13:273.

COVID19-inhibitory activity of withanolides involves targeting of the host cell surface receptor ACE2: insights from computational and biochemical assays (2021). Rajkumar Singh Kalra, Vipul Kumar, Jaspreet Kaur Dhanjal, Sukant Garg, Xiaoshuai Li, Sunil C. Kaul, Durai Sundar and Renu Wadhwa. Journal of Biomolecular Structure and Dynamics, (doi:10.1080/07391102.2021.1902858).

Identification and Characterization of MortaparibPlus - A Novel Triazole Derivative That Targets Mortalin-p53 Interaction and Inhibits Cancer-Cell Proliferation by Wild-Type p53-Dependent and -Independent Mechanisms (2021). Anissa Nofita Sari, Ahmed Elwakeel, Jaspreet Kaur Dhanjal, Vipul Kumar, Durai Sundar, Sunil C. Kaul and Renu Wadhwa. Cancers, 13(4):835.

Why Ashwagandha for Prevention and Treatment of COVID-19? (2020). Renu Wadhwa, Jaspreet Kaur Dhanjal, Vipul Kumar, Sunil C. Kaul and Durai Sundar.Applied Microbiology Open Access, 6(3): 176.

Withanone and Withaferin-A have ability to inhibit Transmembrane Protease Serine 2 (TMPRSS2) to block the entry of SARS-CoV-2 into the cells (2020). Vipul Kumar, Jaspreet Kaur Dhanjal, Sunil C. Kaul, Renu Wadhwa and Durai Sundar. Journal of Biomolecular Structure and Dynamics, (doi:10.1080/07391102.2020.1775704).

Withanone and Caffeic Acid Phenethyl Ester are predicted to interact with Main Protease (Mpro) of SARS-CoV-2 and inhibit its activity (2020). Vipul Kumar, Jaspreet Kaur Dhanjal, Priyanshu Bhargava, Ashish Kaul, Jia Wang, Huayue Zhang, Sunil C. Kaul, Renu Wadhwa and Durai Sundar. Journal of Biomolecular Structure and Dynamics, (doi:10.1080/07391102.2020.1772108).

Evaluation of off-targets predicted by sgRNA design tools (2020). Jaspreet Kaur Dhanjal*, Samvit Dammalapati*, Shreya Pal and Durai Sundar. Genomics, 112:3609-3614 (* equal contribution) .

Bioinformatics and molecular insights to anti-metastasis activity of triethylene glycol derivatives (2020). Vidhi Malik, Sukant Garg, Sajal Afzal, Jaspreet Kaur Dhanjal, Chae-Ok Yun, Sunil C. Kaul, Durai Sundar, Renu Wadhwa. International Journal of Molecular Sciences, 21(15):5463.

Combination of Withaferin-A and CAPE provides superior anticancer potency: bioinformatics and experimental evidence to their molecular targets and mechanism of action (2020). Anissa Nofita Sari*, Priyanshu Bhargava*, Jaspreet Kaur Dhanjal*, Jayarani F. Putri, Navaneethan Radhakrishnan, Sayed Shefrin, Yoshiyuki Ishida, Keiji Terao, Durai Sundar, Sunil C. Kaul and Renu Wadhwa. Cancers (Basel), 12(5):1160 (* equal contribution) .

CRISPcut: A novel tool for designing optimal sgRNAs for CRISPR/Cas9 based experiments in human cells (2019). Jaspreet Kaur Dhanjal, Navaneethan Radhakrishnan and Durai Sundar. Genomics, 111:560-566.

Wild type p53 function in p53Y220C mutant harboring cells by treatment with Ashwagandha-derived anticancer withanolides: Bioinformatics and experimental evidence (2019). Durai Sundar, Yue Yu, Shashank Prakash Katiyar, Jayarani F. Putri, Jaspreet Kaur Dhanjal, Jia Wang, Anissa Nofita Sari, Evangelos Kolettas, Sunil C. Kaul and Renu Wadhwa. Journal of Experimental and Clinical Cancer Research, 38:103.

Marine carotenoid Fucoxanthin possesses anti-metastasis activity: molecular evidence (2019). Sukant Garg, Sajal Afzal, Ahmed Elwakeel, Damini Sharma, Navaneethan Radhakrishnan, Jaspreet Kaur Dhanjal, Durai Sundar, Sunil C. Kaul and Renu Wadhwa. Marine Drugs, 17(6):338.

Mortaparib, a novel dual inhibitor of mortalin (mthsp70) and PARP1 as a potential drug candidate for ovarian and cervical cancer (2019). Jayarani F. Purti, Priyanshu Bhargava, Jaspreet Kaur Dhanjal, Tomoko Yaguchi, Durai Sundar, Sunil C. Kaul and Renu Wadhwa. Journal of Experimental and Clinical Cancer Research, 38:499.

Identifying synthetic lethal targets using CRISPR/Cas9 (2017). Jaspreet Kaur Dhanjal, Navaneethan Radhakrishnan and Durai Sundar. Methods, 131:66-73.2007.

Function and structure-based screening of compounds, peptides and proteins to identify drug candidates (2017). Vidhi Malik, Jaspreet Kaur Dhanjal, Anjani Kumari, Navaneethan Radhakrishnan, Kamya Singh and Durai Sundar. Methods, 131:10-21.

Genome wide DNA methylation profiling integrated with gene expression profiling identifies PAX9 as a novel prognostic marker in Chronic Lymphocytic Leukemia (2017). Lata Rani, Nitin Mathur, Ritu Gupta, Ajay Gogia, Gurvinder Kaur, Jaspreet Kaur Dhanjal, Durai Sundar, Lalit Kumar and Atul Sharma. Clinical Epigenetics, 9:57.

Molecular characterization and enhancement of anticancer activity of caffeic acid phenethyl ester by γ cyclodextrin (2016). Renu Wadhwa, Nupur Nigam, Priyanshu Bhargava, Jaspreet Kaur Dhanjal, Sukriti Goyal, Abhinav Grover, Durai Sundar, Yoshiyuki Ishida, Keiji Terao and Sunil C. Kaul . Journal of Cancer, 7(13):1755-1771.

Molecular dynamics-based identification of novel natural mortalin-p53 abrogators as anticancer agents (2016). Neha Nagpal, Sukriti Goyal, Jaspreet Kaur Dhanjal, Liu Ye, Sunil C. Kaul, Renu Wadhwa, Rupesh Chaturvedi and Abhinav Grover. Journal of Receptor and Signal Transduction Research, 5:1-9.

Mixed inhibition of cPEPCK by genistein, using an extended binding site located adjacent to its catalytic cleft (2015). Shashank Prakash Katiyar, Arpit Jain, Jaspreet Kaur Dhanjal and Durai Sundar. PLoS One, 10(11):e0141987.

Computational structure-based de novo design of hypothetical inhibitors against the anti-inflammatory target COX-2 (2015). Jaspreet Kaur Dhanjal, Anith Kumar Sreenidhi, Khushboo Bafna, Shashank Prakash Katiyar, Sukriti Goyal, Abhinav Grover and Durai Sundar. PLoS One, 10(8):e0134691.

Curcumin-based IKKβ inhibiting anticancer lead design using novel fragment-based group QSAR modeling (2015). Kunal Patel, Chetna Tyagi, Sukriti Goyal, Jaspreet Kaur Dhanjal, Navneeta Bharadvaja and Abhinav Grover. Medicinal Chemistry Research, 24(5):2022-2032.

Theoretical investigation of DNA dynamics and desolvation kinetics for zinc finger protein Zif268 (2015). Shayoni Dutta, Yoshita Agrawal, Aditi Mishra, Jaspreet Kaur Dhanjal and Durai Sundar. BMC Genomics, 16 (S12):S5.

Use of ligand-based pharmacophore modeling and docking approach to find novel acetylcholinesterase inhibitors for treating Alzheimer’s (2015). Jaspreet Kaur Dhanjal, Sudhanshu Sharma, Abhinav Grover and Asmita Das. Biomedicine & Pharmacotherapy, 71:146-152.

Medicinal plants, a gold mine of anticancer compounds (2015). Asmita Das and Jaspreet Kaur Dhanjal. American International Journal of Research in Formal, Applied and Natural Sciences, 14-23.

Mechanistic analysis elucidating the relationship between Lys96 mutation in Mycobacterium tuberculosis pyrazinamidase enzyme and pyrazinamide susceptibility (2015). Chakshu Vats, Jaspreet Kaur Dhanjal, Sukriti Goyal, Ankita Gupta, Navneeta Bharadvaja and Abhinav Grover. BMC Genomics, 16 (S2):S14.

Embelin inhibits TNF-α converting enzyme and cancer cell metastasis: molecular dynamics and experimental evidence (2014). Jaspreet Kaur Dhanjal, Nupur Nigam, Sudhanshu Sharma, Anupama Chaudhary, Sunil C. Kaul, Abhinav Grover and Renu Wadhwa. BMC Cancer, 14:775.

Structural insights into mode of actions of novel natural Mycobacterium protein tyrosine phosphatase B inhibitors (2014). Jaspreet Kaur Dhanjal, Sonam Grover, Sudhanshu Sharma, Ajeet Kumar Singh and Abhinav Grover. BMC Genomics, 15(S1):S3.

Mechanistic insights into mode of action of a potent natural antagonist of orexin receptor-1 by means of high throughput screening and molecular dynamics simulations (2014). Jaspreet Kaur Dhanjal, Sonam Grover, Parteek Paruthi, Sudhanshu Sharma and Abhinav Grover. Combinatorial Chemistry & High Throughput Screening, 17(2):124-31.

Development of dual inhibitors against Alzheimer’s disease using fragment-based QSAR and molecular docking (2014). Manisha Goyal, Jaspreet Kaur Dhanjal, Sukriti Goyal, Chetna Tyagi, Rabia Hamid and Abhinav Grover. BioMed Research International, Integrative Genomics and Computational Systems Medicine, 2014:979606.

Novel fragment- based QSAR modelling and combinatorial design of pyrazole derived CRK3 inhibitors as potent anti-leishmanials (2014). Sukriti Goyal, Jaspreet Kaur Dhanjal, Chetna Tyagi, Manisha Goyal and Abhinav Grover. Chemical Biology and Drug Design, 84(1):54-62.

Computational identification of novel natural inhibitors of glucagon receptor for checking type II diabetes mellitus (2014). Sonam Grover, Jaspreet Kaur Dhanjal, Sukriti Goyal, Abhinav Grover and Durai Sundar. BMC Bioinformatics, 15(S16):S13.

Computational design of novel flavonoid analogues as potential ache inhibitors: Analysis using group-based QSAR, molecular docking and molecular dynamics simulation (2014). Chakshu Vats, Jaspreet Kaur Dhanjal, Sukriti Goyal, Navneeta Bharadvaja and Abhinav Grover. Structural Chemistry, 26(2):467–476.

Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2 (2014). Sukriti Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Chetna Tyagi, Manisha Goyal and Abhinav Grover. Journal of Molecular Graphics and Modeling, 51:64-72.

Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis (2014). Sukriti Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Manisha Goyal, Chetna Tyagi, Sajeev Chacko and Abhinav Grover. Journal of Molecular Modeling, 20(3):2099.

Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the a-ß interfacial site of human tubulin (2014). Chetna Tyagi, Ankita Gupta, Sukriti Goyal, Jaspreet Kaur Dhanjal and Abhinav Grover. BMC Genomics, 15(S9):S3.

Mechanistic insights into mode of action of potent natural antagonists of BACE-1 for checking Alzheimer’s plaque pathology (2013). Jaspreet Kaur Dhanjal, Sukriti Goyal, Sudhanshu Sharma, Rabia Hamid and Abhinav Grover. Biochemical and Biophysical Research Communications, 443(3):1054-9.

Resisting resistant Mycobacterium tuberculosis naturally: Mechanistic insights into the inhibition of the parasite's sole signal peptidase Leader peptidase B (2013). Heena Dhiman, Jaspreet Kaur Dhanjal, Sudhanshu Sharma, Sajeev Chacko and Abhinav Grover. Biochemical and Biophysical Research Communications, 433(4):552-557.

Mechanistic insights into mode of action of novel natural cathepsin L inhibitors (2013). Chetna Tyagi, Sonam Grover, Jaspreet Kaur Dhanjal, Sukriti Goyal, Manisha Goyal and Abhinav Grover. BMC Genomics, 14(S8):S10.

Novel natural structure corrector of ApoE4 for checking Alzheimer's disease. Benefits from high throughput screening and molecular dynamics simulations (2013). Manisha Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Sukriti Goyal, Chetna Tyagi, Sajeev Chacko and Abhinav Grover. Biomed Research International, 2013:620793.

Molecular modeling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches (2013). Manisha Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, Sukriti Goyal, Chetna Tyagi and Abhinav Grover. Medicinal Chemistry Research, 23(4):2122- 2132.

Paradigm shift in stem cell research with computational tools, techniques and databases (2024). Arnab Raha, Prateek Paul, Samriddhi Gupta, Shruti Kaushal, Jaspreet Kaur Dhanjal^$. Computational Biology for Stem Cell Research, Raghav, P.K, Kumar, R., Lathwal, A. and Sharma, S. (Eds.), pp. 17-32. Academic Press. (Book ISBN: 9780443132223).( ^$corresponding author).

Engineering of Cas9 for improved functionality (2020). Dhavni Sandeep Vora, Jaspreet Kaur Dhanjal, Durai Sundar. In: Genome Engineering via CRISPR-Cas9 System, Singh, V. and Dhar, P.K. (Eds.), pp. 111-122. Elsevier (Book ISBN: 978-0-12-818140-9).

Computational protein engineering approaches for effective design of new molecules (2019). Jaspreet Kaur Dhanjal, Vidhi Malik, Navaneethan Radhakrishnan, Moolchand Sigar, Anjani Kumari, Durai Sundar. In: Encyclopedia on Bioinformatics and Computational Biology, Ranganathan, S., Gribskov, M., Nakai, K. and Schonbach, C. (Eds.), vol. 3, pp. 631-643. Oxford: Elsevier. (Book ISBN: 978-0-128-11414-8).

Quantitative structure-activity relationship (QSAR): modeling approaches to biological applications (2019). Swathik Clarancia, Jaspreet Kaur Dhanjal, Vidhi Malik, Navaneethan Radhakrishnan, Jayakanthan Mannu, Durai Sundar. In: Encyclopedia on Bioinformatics and Computational Biology, Ranganathan, S., Gribskov, M., Nakai, K. and Schonbach, C. (Eds.), vol. 3, pp. 661-676. Oxford: Elsevier. (Book ISBN: 978-0-128-11414-8).

Protein-DNA parasparik kriyaon ke aadhar par lakshit genome engineering upkarno ka vikaas (2015). Jaspreet Kaur Dhanjal, Shayoni Dutta, Durai Sundar. Jigyasa, 29:74-77 (A scientific hindi patrika of IIT Delhi).

Understanding DNA-protein interactions for applications in genome engineering (2014). Shayoni Dutta, Jaspreet Kaur Dhanjal, Durai Sundar. Asia Pacific Biotech News, 18(9):31-34.