Research Areas

Nitish Kumar*, Komalpreet Kaur, Anupmjot Kaur Jassal, & Preet Mohinder Singh Bedi. (2024), Flavin Mononucleotide, a potent inhibitor of Insulin-Degrading Enzyme: an in-silico study, Journal of Biomolecular Structure and Dynamics. 1–11. https://doi.org/10.1080/07391102.2024.2440146

Janmejay Pant, Lovedeep Singh*, Payal Mittal, Nitish Kumar*. Valencene as a novel potential downregulator of THRB in NSCLC: network pharmacology, molecular docking, molecular dynamics simulation, ADMET analysis, and in vitro analysis. (2024). Molecular Diversity. https://doi.org/10.1007/s11030-024-11008-2

Yashika Raheja, Varinder Singh, Nitish Kumar, Dhruv Agrawal, Gaurav Sharma, Marcos Di Falco, Adrian Tsang & Bhupinder Singh Chadha. (2024), Transcriptional and secretome analysis of Rasamsonia emersonii lytic polysaccharide mono‑oxygenases, Applied Microbiology and Biotechnology. 108:444. https://doi.org/10.1007/s00253-024-13240-0

Nitish Kumar, Komalpreet Kaur, & Preet Mohinder Singh Bedi. (2023), Hybridization of molecular docking studies with machine learning based QSAR model for prediction of xanthine oxidase activity, Computational and Theoretical Chemistry. 1227: 114262. https://doi.org/10.1016/j.comptc.2023.114262

Nitish Kumar*, Ankita Rajput, Harmandeep Kaur, Anchal Sharma, Kavita Bhagat, Jatinder Vir Singh, Saroj Arora, & Preet Mohinder Singh Bedi. (2023), Shikonin derivatives as potent xanthine oxidase inhibitors: in-vitro study. Natural Product Research. 37 (16): 2795–2800. https://doi.org/10.1080/14786419.2022.2132499 

Altaf Ahmad Shah, Nitish Kumar, Preet Mohinder Singh Bedi & Salman Akhtar. (2023), Molecular modeling, dynamic simulation, and metabolic reactivity studies of quinazoline derivatives to investigate their anti-angiogenic potential by targeting wild EGFRwt and mutant EGFRT790M receptor tyrosine kinases, Journal of Biomolecular Structure and Dynamics: 1‑23. https://10.1080/07391102.2023.2274974

Sukhwinder Singh, Imtej Singh Saggu, Sukhjinder Singh, Nitish Kumar, Kaiwen Chen, Zhengxi Xuan, Ritu Gupta, Mark T. Swihart, & Sandeep Sharma. (2023), Detection of DMF and NH3 at Room Temperature Using a Sensor Based on a MoS2 /Single-Walled Carbon Nanotube Composite, ACS Applied Nano Materials. 6 (12): 10698–10712. https://doi.org/10.1021/acsanm.3c01638

Palvi Sharma, Ankita Rajput, Nitish Kumar, Sharabjit Singh, Sukhprit Singh, Hardeep S. Tuli, Shafiul Haque, Rinaldo Pellicano, Sharmila Fagoonee, & Saroj Arora. (2023), Antioxidant activity and inhibitory potential of Hibiscus rosa-sinensis flower extract against the key enzymes relevant for hyperglycemia: in-vitro and in-silico studies, Minerva Biotechnology and Biomolecular Research. 35 (2). https://doi.org/10.23736/S2724-542X.23.02970-X

Shubham Thakur, Amrinder Singh, Manjot Kaur, Navid Reza, Nitish Kumar, Rasdeep Kour, Satwinderjeet Kaur, Preet Mohinder Singh Bedi, & Subheet Kumar Jain. (2023), Vitamins and minerals fortified emulsion of omega-3 fatty acids for the management of preterm birth: In-vitro, in-silico, and in-vivo studies, Journal of Drug Delivery Science and Technology. 83: 104409. https://doi.org/10.1016/j.jddst.2023.104409  

Ankita Rajput, Palvi Sharma, Nitish Kumar, Hasandeep Singh, Tanveer Singh, Sharabjit Singh, Preet Mohinder Singh Bedi, Balbir Singh, Saroj Arora, & Sarabjit Kaur. (2023), Anticonvulsant potential of Grewia tiliaefolia in pentylenetetrazole induced epilepsy: insights from in vivo and in silico studies, Metabolic Brain Disease. 1: 1–13. https://doi.org/10.1007/s11011-023-01252-0.

Ankita Rajput, Palvi Sharma, Nitish Kumar, Sarabjit Kaur, & Saroj Arora. (2023), Neuroprotective activity of novel phenanthrene derivative from Grewia tiliaefolia by in vitro and in silico studies, Scientific Reports. 13 (1): 2444. https://doi.org/10.1038/s41598-023-29446-7

Atamjit Singh, Shilpa Heer, Komalpreet Kaur, Harmandeep K Gulati, Nitish Kumar, Anchal Sharma, Jatinder V Singh, Kavita Bhagat, Gurinder Kaur, Kirandeep Kaur, Harbinder Singh, Renu Chadha, & Preet Mohinder Singh Bedi. (2022), Design, synthesis, and biological evaluation of isatin-indole-3-carboxaldehyde hybrids as a new class of xanthine oxidase inhibitors. Archiv Der Pharmazie . 355 (6): e2200033. https://doi.org/10.1002/ardp.202200033  

Jatinder Vir Singh, Shubham Thakur, Nitish Kumar, Harjeet Singh, Venus Singh Mithu, Harpreet Singh, Kavita Bhagat, Harmandeep Kaur Gulati, Anchal Sharma, Harbinder Singh, Sahil Sharma, & Preet Mohinder Singh Bedi. (2022), Donepezil-Inspired Multitargeting Indanone Derivatives as Effective Anti-Alzheimer’s Agents, ACS Chemical Neuroscience. 13 (6): 733–750. https://doi.org/10.1021/ACSCHEMNEURO.1C00535

Nitish Kumar, Jatinder Vir Singh, Kavita Bhagat, Harmandeep Kaur Gulati, Anchal Sharma, Archana Rani, Amit Duggal, Puja Gulati, Harbinder Singh, Preet Mohinder Singh Bedi, & Sarabjit Kaur. (2022), Discovery of potent inhibitors for Mpro enzyme of SARS-COV2 by multi-stage in-silico screening of Alkannin/shikonin, Natural Product Research. 36 (18): 4798–4802. https://doi.org/10.1080/14786419.2021.2013212   

Harmandeep Kaur Gulati, Sushil Choudhary, Nitish Kumar, Ajaz Ahmed, Kavita Bhagat, Jatinder Vir Singh, Atamjit Singh, Ajay Kumar, Preet Mohinder Singh Bedi, Harbinder Singh, & Debaraj Mukherjee. (2022), Design, Synthesis, biological investigations and molecular interactions of triazole linked tacrine glycoconjugates as Acetylcholinesterase inhibitors with reduced hepatotoxicity, Bioorganic Chemistry. 118: 105479. https://doi.org/10.1016/j.bioorg.2021.105479  

Nitish Kumar, Atamjit Singh, Harmandeep Kaur Gulati, Kavita Bhagat, Komalpreet Kaur, Jaspreet Kaur, Shilpa Dudhal, Amit Duggal, Puja Gulati, Harbinder Singh, Jatinder Vir Singh, & Preet Mohinder Singh Bedi. (2021), Phytoconstituents from ten natural herbs as potent inhibitors of main protease enzyme of SARS-COV-2: In silico study, Phytomedicine Plus. 1 (4): 100083. https://doi.org/10.1016/j.phyplu.2021.100083  

Kavita Bhagat, Jatinder Vir Singh, Aakriti Sharma, Arshmeet Kaur, Nitish Kumar, Harmandeep Kaur Gulati, Atamjit Singh, Harbinder Singh, & Preet Mohinder Singh Bedi. (2021), Novel series of triazole containing coumarin and isatin based hybrid molecules as acetylcholinesterase inhibitors, Journal of Molecular Structure. 1245: 131085. https://doi.org/10.1016/j.molstruc.2021.131085

Nitish Kumar, & Preet Mohinder Singh Bedi. (2020), Molecular Modelling Based Design and Synthesis of Donepezil Like Derivatives As Acetylcholinesterase Inhibitors, SSRN Electronic Journal. https://doi.org/10.2139/ssrn.3529875  

Harmandeep Kaur Gulati, Kavita Bhagat, Atamjit Singh, Nitish Kumar, Arshmeet Kaur, Akriti Sharma, Shilpa Heer, Harbinder Singh, Jatinder Vir Singh, & Preet Mohinder S. Bedi. (2020), Design, synthesis and biological evaluation of novel indolinedione–coumarin hybrids as xanthine oxidase inhibitors, Medicinal Chemistry Research. 29 (9): 1632–1642. https://doi.org/10.1007/s00044-020-02589-2

Atamjit Singh, Sahil Sharma, Saroj Arora, Shivani Attri, Prabhjot Kaur, Harmandeep Kaur Gulati, Kavita Bhagat, Nitish Kumar, Harbinder Singh, Jatinder Vir Singh, & Preet Mohinder Singh Bedi. (2020), New coumarin-benzotriazole based hybrid molecules as inhibitors of acetylcholinesterase and amyloid aggregation, Bioorganic & Medicinal Chemistry Letters. 30 (20): 127477. https://doi.org/10.1016/j.bmcl.2020.127477

Harsimran Singh Bhalla, Jagdeep Kaur, Anmol Arora, & Nitish Kumar. (2018). Comparative Study of Anti-Oxidant Activity of Green, Black, White and Oolong Tea. World Journal of Pharmaceutical Research. 7 (1), 514. https://doi.org/10.20959/wjpr20181-10006. 

Aanchal Khanna, Nitish Kumar*, Rupali Rana, Jyoti, Anchal Sharma, Muskan, Harmandeep Kaur, Preet Mohinder Singh Bedi. (2024) Fluoroquinolones tackling antimicrobial resistance: Rational design, mechanistic insights and comparative analysis of norfloxacin vs ciprofloxacin derivatives, Bioorganic Chemistry. https://doi.org/10.1016/j.bioorg.2024.107773

Rupali Rana, Anchal Sharma, Nitish Kumar, Aanchal Khanna, Jyoti, Muskan Dhir, Harmandeep Kaur Gulati, Jatinder Vir Singh, Preet Mohinder Singh Bedi. (2024) A comprehensive review of synthetic and semisynthetic xanthine oxidase inhibitors: identification of potential leads based on in-silico computed ADME characteristics, Molecular Diversity. https://doi.org/10.1007/s11030-024-10962-1

Nitish Kumar, Komalpreet Kaur, Navjot Kaur, Ekampreet Singh, Preet Mohinder Singh Bedi. (2024), Pathology, target discovery, and the evolution of XO inhibitors from the first discovery to recent advances (2020–2023), Bioorganic Chemistry. 143: 107042. https://doi.org/10.1016/j.bioorg.2023.107042

Anchal Sharma, Nitish Kumar, Harmandeep Kaur Gulati, Rupali Rana, Jyoti, Aanchal Khanna, Muskan, Jatinder Vir Singh & Preet Mohinder Singh Bedi. (2024) Antidiabetic potential of thiazolidinedione derivatives with efficient design, molecular docking, structural activity relationship, and biological activity: an update review (2021–2023). Molecular Diversity https://doi.org/10.1007/s11030-023-10793-6

Harmandeep Kaur Gulati, Aanchal Khanna, Nitish Kumar, Anchal Sharma, Rupali, Jyoti, Jatinder vir Singh, Kavita Bhagat, Preet Mohinder Singh Bedi. (2024) Triazole derivatives as potential xanthine oxidase inhibitors: Design, enzyme inhibition potential, and docking studies. Arch. Pharm., e2300296. https://doi.org/10.1002/ardp.202300296

Rupali Rana, Nitish Kumar*, Harmandeep Kaur Gulati, Anchal Sharma, Aanchal Khanna, Pooja, Rakshit Badhwar, Muskan Dhir, Jyoti, Jatinder Vir Singh, & Preet Mohinder Singh Bedi. (2023), A comprehensive review on thiazole based conjugates as anti-cancer agents, Journal of Molecular Structure. 1292: 136194. https://doi.org/10.1016/j.molstruc.2023.136194

Harmandeep Kaur Gulati, Nitish Kumar, Anchal Sharma, Jyoti, Aanchal Khanna, Sofia Sharma, Rajan Salwan, & Preet Mohinder Singh Bedi. (2023), A comprehensive review on triazole based conjugates as acetylcholinesterase inhibitors: Design strategies, synthesis, biological activity, structure activity relationships, molecular docking studies, Journal of Molecular Structure. 1284: 135354. https://doi.org/10.1016/j.molstruc.2023.135354  

Nitish Kumar*, Aanchal Khanna, Komalpreet Kaur, Harmandeep Kaur, Anchal Sharma, & Preet Mohinder Singh Bedi. (2023), Quinoline derivatives volunteering against antimicrobial resistance: rational approaches, design strategies, structure activity relationship and mechanistic insights, Molecular Diversity. 27 (4): 1905–1934. https://doi.org/10.1007/s11030-022-10537-y  

Anchal Sharma, Harmandeep Kaur Gulati, Nitish Kumar, Rupali Rana, Sofia Sharma, Aanchal Khanna, Jatinder Vir Singh, Jyoti, and Preet Mohinder Singh Bedi. (2022) Game Changing Solutions for Pharmaceutical Industries: In Relevance to Covid-19. YMER, 21(9): 995-1002.

Kavita Bhagat, Nitish Kumar, Harmandeep Kaur Gulati, Aanchal Sharma, Amandeep Kaur, Jatinder Vir Singh, Harbinder Singh, & Preet Mohinder Singh Bedi. (2022), Dihydrofolate reductase inhibitors: patent landscape and phases of clinical development (2001–2021), Expert Opinion on Therapeutic Patents. 32 (10): 1079–1095. https://doi.org/10.1080/13543776.2022.2130752    

Ayush Singh, Gurpreet Bawa, Ms. Manju, Manwinder Singh Jhand, Nitish Kumar, Riya Sehgal, & Sachit Sharma. (2022), Informative Review on Pharmacognostic, Phytochemistry, Ethnopharmacological, and Phytopharmacological Actions of Tinospora cordifolia, International Journal of Pharmaceutical Sciences Review and Research: 1–7. https://doi.org/10.47583/ijpsrr.2022.v73i01.001  

Nitish Kumar, Harmandeep Kaur Gulati, Aakriti Sharma, Shilpa Heer, Anupmjot Kaur Jassal, Lovenish Arora, Simranpreet Kaur, Atamjit Singh, Kavita Bhagat, Arshmeet Kaur, Harbinder Singh, Jatinder Vir Singh, & Preet Mohinder Singh Bedi. (2020), Most recent strategies targeting estrogen receptor alpha for the treatment of breast cancer, Molecular Diversity. 1: 3. https://doi.org/10.1007/s11030-020-10133-y

Kavita Bhagat, Jatinder V. Singh, Piyusha P. Pagare, Nitish Kumar, Anchal Sharma, Gurinder Kaur, Nihar Kinarivala, Srinivasa Gandu, Harbinder Singh, Sahil Sharma, and Preet Mohinder S. Bedi. (2020). Rational Approaches for the Design of Various GABA Modulators and Their Clinical Progression. Molecular Diversity. Springer. https://doi.org/10.1007/s11030-020-10068-4

Harbinder Singh, Jatinder Vir Singh, Kavita Bhagat, Harmandeep Kaur Gulati, Mohit Sanduja, Nitish Kumar, Nihar Kinarivala, & Sahil Sharma. (2019), Rational approaches, design strategies, structure activity relationship and mechanistic insights for therapeutic coumarin hybrids, Bioorganic & Medicinal Chemistry. 27 (16): 3477–3510. https://doi.org/10.1016/j.bmc.2019.06.033.

Harsimran Singh, Jagdeep Kaur, and Nitish Kumar. (2015). Multifarious Pharmacological Potentials of Green and Black Tea Extracted from Camellia Sinensis: From Kitchen to Clinic, European Journal of Pharmaceutical and Medical Research. 2 (5): 886–901.

Harsimran Singh, Jagdeep Kaur, Nitish Kumar, and Mu Khan. (2015). Emerging Role of Herbal Drugs in the Management of Diabetes Mellitus, World Journal of Pharmaceutical Sciences. 3 (7): 2321–3310.

Anchal Sharma, Nitish Kumar*, Jyoti, Aanchal Khanna and Preet Mohinder Singh Bedi, (2024), Computational prediction of drug limited solubility and CYP450 mediated biotransformation, in: Computational Drug Discovery, De Gruyter (just accepted)

Komalpreet Kaur, Nitish Kumar, Jatinder Vir Singh, Preet Mohinder Singh Bedi, & Harbinder Singh. (2023), Recent Development of Quinoline Derivatives as Anticancer Agents: 2015–2022, in: Interdisciplinary Cancer Research, Springer, Cham: pp. 1–34. https://doi.org/10.1007/16833_2023_125

Nitish Kumar, Harmandeep Kaur, Anchal Khanna, Komalpreet Kaur, Jatinder Vir Singh, Sarabjit Kaur, Preet Mohinder Singh Bedi, & Balbir Singh. (2023), Pyridine as a potent antimicrobial agent and its recent discoveries, in: Recent Developments in the Synthesis and Applications of Pyridines, Elsevier: pp. 581–605. https://doi.org/10.1016/B978-0-323-91221-1.00003-8 

Atamjit Singh, Kirandeep Kaur, Komalpreet Kaur, Jaijeet Singh, Nitish Kumar, Neena Bedi, & Preet Mohinder Singh Bedi. (2021), Silver Nanoparticles Impregnated Wound Dressings: Recent Progress and Future Challenges, in: Silver Micro-Nanoparticles - Properties, Synthesis, Characterization, and Applications, IntechOpen, https://doi.org/10.5772/intechopen.98731