Rashmi Gaur , Ph.D.

Organic & Medicinal Chemistry

Research Focus

Dr. Rashmi Gaur was awarded Ph. D. in Chemical Sciences from the Central Institute of Medicinal and Aromatic Plants, Lucknow, India, under Dr. R. S. Bhakuni in 2015. Dr. Gaur’s Ph.D. was in the field of Natural Products Chemistry i.e. extraction, isolation, and structure determination of chemical compounds, synthetic modification of antimalarial drug artemisinin, and natural products like flavoalkaloids, isoliquiritigenin, liquiritigenin. In 2016, she was awarded National Post Doc Fellowship at Central Drug Research Institute, Lucknow India. In 2018, she joined as a postdoctoral researcher at Anhui Agricultural University, Hefei, China to work on tea viz. Camellia sinensis flavoalkaloids. Dr. Gaur’s research work is focused on a multidisciplinary research program at the interface of chemistry and biology, combining classical natural products chemistry with high-throughput screening. It involves most aspects of drug discovery ranging from the collection of promising medicinal plants, bioassay development, NMR spectroscopic structure determination, chemical synthesis, mechanism-of-action studies, and pharmacology, up to the preclinical and clinical development of candidate molecules. Dr. Gaur’s group is also involved in the characterization of molecules from the biotransformation process using cell culture, bacteria, and fungus.

Research Interest

  • Activity guided fractionation: Identification and enrichment of active ingredients for the development of herbal formulation.
  • Biotransformation of natural products into lead compounds for better pharmaceutical utilities.
  • Metabolomics approach for extraction and isolation of complex natural products.


  • Scientist (November 2022-present) CSIR-Indian Institute of chemical biology (CSIR-IICB), Kolkata.
  • Post Doc Fellow: Anhui Agricultural University, Hefei, Anhui, China. (25 October 2018- 24 October 2020).
  • Post Doc Fellow: CSIR-Central Drug Research Institute (CDRI) (1 February 2016- 31 January 2018)
  • Research Fellow: Delhi Technological University, Delhi (17 June 2015-18 January 2016)
  • Awarded PhD (December 2015) from CSIR-Central Institute of Medicinal &Aromatic Plants (Medicinal Chemistry Division), Lucknow, India, under Dr. R.S. Bhakuni (Supervisor).

Honours & Awards

  • Best Paper Award 2016

Patents & Publications

  1. Rashmi Gaur, Jia-Ping Ke, Peng Zhang, Zi Yang, Guan-Hu Bao. Novel Cinnamoylated Flavoalkaloids Identified in Tea with Acetylcholinesterase Inhibition Effect. Journal of Agricultural and Food Chemistry. 2020, 68 (10) 3140-3148
  2. Jyoti, Rashmi Gaur, Yogesh Kumar, Harveer Singh Cheema, Deepak Singh Kapkoti, Mahendra P. Darokar, Feroz Khan, and Rajendra Singh Bhakuni. Synthesis, molecular modelling studies of indolyl chalcone derivatives and their antimalarial activity evaluation. Natural Product Research. 2019, https://doi.org/10.1080/14786419.2019.1696788
  3. Vivek Kumar Gupta, Rashmi Gaur, Atin Sharma, Jawed Akther, Mahak Saini, Rajendra Singh Bhakuni, Ranjana Pathania. A novel bi-functional chalcone inhibits multi-drug resistant Staphylococcus aureus and potentiates the activity of fluoroquinolones. Bioorganic Chemistry.83 (2019) 214–225
  4. Rashmi Gaur, Anoop Singh Pathania, Sunil Kumar, Faiz Malik, Rajendra Singh Bhakuni* Synthesis of a series of novel dihydroartemisinin monomers and dimers containing chalcone as a linker with greater cytotoxic effects in leukemia cells. European Journal of Medicinal Chemistry 2016, 122 (2016) 232-246
  5. Rashmi Gaur, Vivek K Gupta, Anirban Pal, Mahendra P Darokar, Rajendra S Bhakuni*. Sensitization of Methicillin-Resistant Staphylococcus aureus (MRSA) to Lactam in Presence of Isoliquiritigenin and Liquiritigenin Isolated from Glycyrrhiza glabra. Phytotherapy Research 2016.30:17081715.
  6. Rashmi Gaur, Jay Prakash Thakur, Dharmendra K. Yadav, Ram Kishor Verma, Dharmendra Saikia, Feroz Khan, Rajendra Singh Bhakuni* Synthesis antitubercular activity, and molecular modeling studies of analogues of isoliquiritigenin and liquiritigenin, bioactive components from Glycyrrhiza glabra. Med Chem Res2015, 24:3494-3503.
  7. Rashmi Gaur, Harveer Singh Cheema, Dharmendra K Yadav, Mahendra P Darokar, Feroz Khan, Rajendra Singh Bhakuni* Synthesis, antimalarial activities and molecular modeling studies of novel dihydroartemisinin derivartives. RSC Advances.2015, 5, 47959-47974.
  8. Rashmi Gaur, Dharmendra K Yadav, Shiv Kumar, MP Darokar Feroz Khan, Rajendra Singh Bhakuni*. Molecular modelling based synthesis and evaluation of in vitro anticancer activity of indolyl chalcones. Current Topics in Medicinal Chemistry.2015, 15, 1003-1012.
  9. Rashmi Gaur, Vivek K Gupta, Anirban Pal, Mahendra P Darokar, Rajendra S Bhakuni*, Brijesh Kumar. Synthesis of novel chalcone derivatives as potential inhibitor of multidrug resistance efflux pumps in clinical isolates of methicillin resistant S. aureus: novel agents for combination therapy. RSC Advances. 2015, 5, 5830-5845.
  10. Rashmi Gaur, Mahendra P. Darokar, P.V. Ajay Kumar, Ram Sajiwan Shukla, Rajendra Singh Bhakuni*. In vitro antimalarial studies of novel artemisinin biotransformed products and its synthesized derivatives. Phytochemistry.2014, 107, 135-140.
  11. Rashmi Gaur, Sudeep Tiwari, Apurva Jakhmola, Jay Prakash Thakur, Ram Kishor Verma, Rakesh Pandey, Rajendra Singh Bhakuni*. Novel biotransformation processes of artemisinic acid to their hydroxylated derivatives 3β-hydroxyartemisinic acid and 3β, 15-dihydroxyartemisinic by fungus Trichothecium roseum CIMAPN1 and their biological activity. J of Molecular Catalysis b Enzymatic.2014 (106) 46-55.
  12. Rashmi Gaur, Kuldeep Singh Yadav, Ram Kishor Verma, Narayan Prasad Yadav, Rajendra Singh Bhakuni*. In vivo anti-diabetic activity of derivatives of isoliquiritigenin and liquiritigenin. Phytomedicine. 2014, 21, 415-422.
  13. Rashmi Gaur, Suman Patel, Ram Kishor Verma, Archana Mathur, Rajendra Singh Bhakuni. Biotransformation of artemisinin derivatives by Glycyrrhiza glabra, Lavandula officinalis,and Panax quinquefolium. Med Chem Res.2014, 23, (3) 1202-1206.
  14. Neelima Anshul, Rajendra S. Bhakuni, Rashmi Gaur, Dwijendra Singh. Isomeric flavonoids of Artemisia annua (asterales: asteraceae) as insect growth inhibitors against Helicoverpa armigera (lepidoptera: noctuidae). Florida Entomologist. 2013, 5, 897-903.
  15. Suman Patel, Rashmi Gaur, R. S. Bhakuni, A Mathur. Biotransformation of Artemether using  cell suspension cultures of G glabra and Lavandula officinalis(L.) Journal of Natural Medicines.2011, 65:646-650.
  16. A.K. Tripathi, R.S. Bhakuni, Shikha Upadhyay, Rashmi Gaur. Insect feeding deterrent and growth inhibitory activities of scopoletin isolated from Artemisia. Annua against Spilarctia obliqua Walker (Lepidoptera: Noctuidae). Insect  Science. 2011, 18, 189-194
  17. Rashmi Gaur, Sunil Kumar, Priyank Trivedi, Rajendra  Singh Bhakuni*, Dnyaneshwar Umrao Bawankule,  Anirban Pal, Karuna Shanker. Liquiritigenin derivatives and their hepatotoprotective activity. Natural Product Communication. 2010, 5(8), 1243-1246.
  18. Patel, Rashmi Gaur, Priyanka Verma, Rajendra S. Bhakuni, Archana Mathur. Biotransformation of artemisinin using cell suspension cultures of   Catharanthus roseus (L.)  G.Don and Lavandula officinalis L.Biotechnology Letters.2010,32; 1167-1171.
  19. Peng Zhang; Wei Wang; Xiao-Huan Liu; Zi Yang; Rashmi Gaur; Hao-Yue Wu; Jing-Jing Wang; Jia-Ping Ke. Detection and quantification of flavoalkaloids produced through trapping theanine degraded products by catechins during tea processing based on UPLC-TOF-MS/MS data. Food Chemistry. 2021, 339, 127864



  1. Rashmi Gaur and Guan-Hu Bao. Chemistry and Pharmacology of Natural Catechins from Camellia sinensis as anti-MRSA agents. Current Topics in Medicinal Chemistry.  2020, (19), 1519-1537
  2. Mukhtar Ali, Najma Memon, Manthar Ali, Abdul Sami Chana, Rashmi Gaur, Ye Jiahai. Recent Development in Fluorescent Probes for Copper Ion Detection. Current Topics in Medicinal Chemistry, 2021


 Bao Guanhu, Ke Jiaping, Rashmi. Gaur. Preparation and application of a new cinnamoyl ester catechin and four new phenylpropanoid flavan alkaloids. Application date 2020/07/14, CN 111410643 A


Book Chapter 

Rashmi Gaur, Jyoti Gaur, Nikhilesh Kumar. Chemistry and Pharmacology of Naturally Occurring Flavoalkaloids, 2022, Book Medicinal Plants for Cosmetics, Health and Diseases Pages 403-421 Publisher CRC Press