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BIC Project NEHU

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Last update on Tuesday, June 13, 2013, at NEHU Shillong 2011
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A project proposal to the Centre for Bioinformatics, NEHU

 CLICK HERE  to display a page URL with documentation of an Elementary article on NMR written by Dr.Aravamudhan


North East Indian Medicinal Plant Chemistry & Conservation: The Use of NMR Technology as aid for the required processing



Department of Chemistry, North Eastern Hills University, Shillong 793022 Meghalaya INDIA                                                                                                                                                                           

1. Standardization of herbal medicines  

2. Bio-prospecting Natural Products for Medicinal properties 

3.  Bio-prospecting and Search for New Chemical Entity [NCE]

4. Computer aided storage and retrieval systems-generating data bases

5.  Prospecting Genomes for Bioactive Molecules   

6.   Computer aided storage and retrieval systems-generating data bases      

7. Prospecting Genomes for Bioactive Molecules                                                                                                                                                                                                                                                                        

All the above listed medicinal plant aspects concern with identifying and characterizing Chemical Entities, and   trying to know the extent possible the detailed characteristic chemical transformations which are responsible for specific medicinal effectiveness of the formulations. It is in general the holistic approach [  Jump to  related Reports on NMR Techniques  ]which practically enables categorizing and using the plant species for their medicinal effectiveness. It is not possible to discard with this traditional method altogether since it is this method which reveals the possibility of what ever potential modern technological tools have in improving the situation for the conservation and utilization of medicinal plants.

Nuclear Magnetic Resonance is a Spectroscopic tool for the study of molecules for their Structure and Reactivity. The NMR has been found to be such a potential tool for the macromolecules, the biologically significant macromolecules in particular, that efforts are made to develop sophisticated instrumentation requiring advanced technological inputs. This type of developing instruments is possible in the NMR regime which in turn unfolds several new techniques based on the Nuclear Magnetic Resonance phenomenon involving theory and experiment. The interpretative potential and inferences from the currently available NMR spectroscopic resources seems to be limited only by the extent to which the user wants to look for the details rather than the actual applicability of the NMR technique.

To emphasize and substantiate the importance of NMR as extold above it suffices to cite two instances of scientific gathering held in INDIA as below.

1.               A workshop on ?NMR in the Post-genomic Era? was held in Lucknow in the year 2002 which was a Indo-Italian collaborative effort.

2.              A Symposium on ?NMR, Drug Design and Bioinformatics? was held in the year 2004 at Saha Institute of Nuclear Physics at Kolkata

A glance through the program and lecture titles would reveal the extent to which NMR can be useful in such studies.

References 1 &2 cited at the end of this description, and the references therein, indicate that specific approaches are being initiated and tested using NMR technique which conforms to the trends of holistic approach prevalent in traditional practices, while the capability of NMR methods for the molecular level characterizations has been unequivocally established. Thus when it becomes necessary to acquire such detailed molecular level informations for standardizing medicinal plant materials, the NMR technique would not be found wanting while the traditional methods have a severe drawback for such detailed studies. Hence it seems that an effort, to adapt the NMR technique for what prevails in traditional practices in standardizing medicinal plant materials with the view to exploit the NMR potentials for revealing molecular details, would prove to be rewarding. It is intended to make a beginning by trying to look for the applicability of this potential NMR tool for whatever is known in the traditional practices in North East for the utilization of medicinal plant materials.


1.                          ?A robust Clustering Approach for NMR Spectra of natural product extracts?:  Gregory K.Pierens, Magnetic Resonance in Chemistry, Vol. 43: 359-365 (2005)

2.                         ?Screening by NMR: A new Approach for the Study of Bioactive Natural Products? The Example of Pleurotus ostreatus Hot Water Extract? , Matteo Politi, European Journal of Organic Chemistry, (2005) 1392-1396.

NMR Techniques Reported for Metaboloc Profiling

RETURN to the text above

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The quest about the possibility of utilizing Nuclear Magnetic Resonance Technique for item 1. (listed above) "Standardization of herbal medicines" arose since the exposure at the 72nd Annual Session of the National Academy of Science ,India held in North Eastern hill University,SHILLONG, November 25-27, 2002 during the Workshop on Biodiversity. At this event and in the subsequent events at N.E.H.U., Shillong on Medicinal Chemistry and the Medicinal Plant resources, the importance of traditional medical practices and the necessity to standardize them were vindicated. The problems that arise in standardizing the medicines prescribed by traditional medical practitioners was evident and by that time the metabolic profiling of biological fluids and similar samples by NMR techniques were advancing rapidly and the application to the problems related to the subject matter as above was evident. This resulted in an effort to make available a brief note on the application of NMR techniques was necessary and the above text was drafted, and posted to intenet, as a convenient starting point to initiate this line of research with the NMR facilities at NEHU. An effort to popularise this aspect included the activities at the Biodiversity Cell(Coordinator: Prof.B.Myrbo, Department of Chemistry) and the Centre for Bioinformatics NEHU (Coordinator Prof. P.Tandon, Department of Botany)and it was also necessary to look into the approaches based statistical methods (Principal Component Analysis) for analysing the NMR Spectral Contents for possible correlations. It is heartening to find that at CBMR, Lucknow the metabolic profiling is being developed in such a way that it would be beneficial to adapt the approaches as it was found necessary for Standardizing traditional medicines.
Dr.S.Aravamudhan, NEHU Campus, 12th March, 2011

 NMR WORKSHOPS  are held for the convenience of USERS to get to know the NMR Techniques: Look for such announcements in the NEHU WEBSITE

"Workshop on NMR in Chemistry and Metabolomics in Biological System" announced for the duration 22nd - 25th February, 2011 could not be held for LACK of PARTICIPANTS
Thus an awareness building about the current state of NMR for Metabolic Profiling & Fingure printing is probably (?) due...CLICK on the Link: for a related comment on public awareness on science.

A presentation file : Introduction for this context

VIDEO Presentation: YOUTUBE upload          JUMP to the start; of the Project write up

                 The above Video is a youtube feature named NEICSSR_June2011.WMV
                  and the URL is:
                 Another embedded video URL: is also a VIDEO UPLOAD
                 feature at
                 Find a pedastrian approach to describe peripheral NMR
                 in Sections III & IV of this article :-
                 A college level introductory description of Nuclear Magnetic Resonance [N.M.R.] can be
                 found in the  Playlist : "NMR Videos" at YOUTUBE link: 1_NMR_ElementaryDefinition.WMV
                  Elementary article on NMR Author: S.Aravamudhan
                 More about NMR tools at the link for SAIF, NEHU  find in Dr.Aravamudhan's website:

This presentation file is for the National Seminar on:
while the World Environemnt Day on 5th June 2011 is nearing. The topic for this paper is

"An Advanced Spectroscopic Technique Convenient to Adapt
to Enrich Inventory of Medicinal Plant Resources of North East ".

The materials related to Plant resources and the effort by Dr. S. Aravamudhan to popularize the Metabolic Profiling by Nuclear Magnetic Resonance Spectroscopic technique
can be found at the URL:

Below is a link to an article with title: Metabolite fingerprinting and profiling in plants using NMR
published in "Journal of Experimental Botany", Vol. 56, No. 410Making Sense of the Metabolome Special Issue, pp. 255–265, January 2005

CLICK HERE and JUMP to view photograph on the occasion of National Seminar on Metabolomics DBTBI,NEHU

The first page title and reference of the above publication
Click on the image to display the full first page
Click on this image for a display of the full first page
The Abstract of this article is reproduced below


Although less sensitive than mass spectrometry (MS),nuclear magnetic resonance (NMR) spectroscopy provides a powerful complementary technique for the identification and quantitative analysis of plant metabolites either in vivo or in tissue extracts. In one approach, metabolite fingerprinting, multivariate analysis of unassigned 1H NMR spectra is used to compare the overall metabolic composition of wild-type, mutant, and transgenic plant material, and to assess the impact of stress conditions on the plant metabolome. Metabolite fingerprinting by NMR is a fast, convenient, and effective tool for discriminating between groups of related samples and it identifies the most important regions of the spectrum for further analysis. In a second approach, metabolite profiling, the 1H NMR spectra of tissue extracts are assigned, a process that typically identifies 20–40 metabolites in an unfractionated extract. These profiles may also be used to compare groups of samples, and significant differences in metabolite concentrations provide the basis for hypotheses on the underlying causes for the observed segregation of the groups. Both approaches generate a metabolic phenotype for a plant, based on a systemwide but incomplete analysis of the plant metabolome. However, a review of the literature suggests that the emphasis so far has been on the accumulation of analytical data and sample classification, and that the potential of 1H NMR spectroscopy as a tool for probing the operation of metabolic networks, or as a functional genomics tool for identifying gene function, is largely untapped.
Added on April 11, 2011 after the NMRS2011, March 1-5,2011

        Jump to  NMR Research at National Botanical Research Institute (CSIR), Lucknow:
         in the area of plant metabolomics in collaboration with CBMR (SGPGIMS) Lucknow

Photograph from the  website ofCentre for Biological Magnetic Resonance, SGPGIMS,Lucknow,INDIA  Photograph at the venue of NMRS2010, CBMR, Lucknow
                                              Photograph from NMRS2010/CBMR, Lucknow

Click for a pdf file

JPG file of above PP76-NMRS2011
Click for a pdf file

JPG file of above PP60-NMRS2011

 NMR Reasearch at National Botanical Research Institute (CSIR),
Rana Pratap Marg, Lucknow-226 001, INDIA, on this SUBJECT MATTER

                      Jump to  related Reports on NMR Techniques
                       Jump to  NMR Research at National Botanical Research Institute (CSIR), Lucknow:
                       Jump to   Section PLANTA MEDICA

Dr. O.P.Sidhu has kindly replied as below, to my email Request for reprints of his publications
related to the subject matter of this webpage:

Thu, April 21, 2011 9:29:12 AM
From: OM P SIDHU :   View Contact

Attacahments: 4 Files Download All
Biresource_Tech.pdf (263KB) ;      Phytochemical_Analysis.pdf  (857KB)
Phytochemistry_71__2010__1085___1094.pdf  (857KB) ;     PLANTA_online_copy.pdf   (643KB)
Dear Dr Aravamudhan,
This is with reference to your email regarding request of reprints. We are working in the area of plant metabolomics in collaboration with CBMR (SGPGIMS) Lucknow. I am sending you our recently published research papers in plant metabolomics.


Dr O.P. Sidhu
National Botanical Research Institute (CSIR)
Rana Pratap Marg
Lucknow-226 001, INdia

Some Abstracts Links of Journal PLANTA MEDICA
(a).1H NMR Metabolite Fingerprinting and Profiling TITLE: Quality Assessment of Polygonum cuspidatum and Polygonum multiflorum by 1H NMR Metabolite Fingerprinting and Profiling Analysis
(b).Botanical MethodsTITLE: Guidelines for Botanical Identification Methods
(c).USE of NMR for srudies of LEAF EXTRACTSTITLE: Multilab Reproduction on Component Quantification and Qualitative Identification of Blueberry Leaf Extracts via NMR
Some Articles on Ayurvedic Medicinal System
Review Article: (d).Link between Ayurveda andModern Health ScienceFull Title: Advent of a Link between Ayurveda andModern Health Science:The Proceedings of the First International Congress on Ayurveda,“Ayurveda: TheMeaning of Life—Awareness, Environment, and Health”March 21-22, 2009,Milan, Italy
 (e).Journal:Current Science, General Article: Link between Ayurveda and Modern Health ScienceFull Title: Ayurveda: a distinctive approach to health and disease

                      Jump to  related Reports on NMR Techniques
                       Jump to  NMR Research at National Botanical Research Institute (CSIR), Lucknow:
;                      & Jump to   Section PLANTA MEDICA

CLICK HERE  to display a webpage with particulars of BOOK ON
Solid State Characterization of Pharmaceuticals
which contains a Chapter on
Characterizing Structure and Dynamics in Pharmaceutical Solids by Solid-State NMR Spectroscopy.

To order your copies, special discount price for bulk purchase, please write to:

Ms. Sarulatha/Ms. Mythili
Research Publishing Services
H12F Double Tank Colony, K.K. Nagar
Chennai - 600 078, Tamil Nadu
Phone: +044-24350149; 044-24720542; HP: 9841029371

Dr.Aravamudhan participated in the National Seminar and Workshop on Bioinformatics and Computational Biology  NSWBCB2006  held at Mahila Mahavidyalaya, Banaras Hindu University, Varanasi during March 22-24, 2006. Below is the fascimile of the Cover page of the Abstract book

Click on this image to display with 3 times this SIZE

Photo gift from Prof Veena Tandon Joint Coordinator BIC, NEHU
Photo gift from Prof. Veena & Pramod Tandon Coordinators BIC, NEHU
Above: 'New Year 2014' Photo gift from Profs Veena & Pramod Tandon Coordinators Center for Bioinformatics, NEHU
Group Photograph on Final Day
Group Photograph on the final day of the National Seminar on Metabolomics
This page furnished with above Photographs on 6th June 2014, while at School of Chemical Sciences, Central Gujarat University

Workshop on

Recent Advances in In-Silico Drug design and X-Ray Crystallography

Department of Biotechnology and Bioinformatics (D.B.T.B.I.)
North Eastern Hill University, Shillong

Certificate of Participation

CLICK HERE to display the source page from "" for the material below
Solid-state NMR studies of the molecular structure of Taxol

[May 5, 2006]
Solid-state NMR studies of the molecular structure of Taxol
Magnetic Resonance in Chemistry 2006, 44, 581-585
Yu Ho, Der-Lii M. Tzou and Feng-I Chu

Abstract: Solid-state 13C{1H} cross-polarization/magic angle spinning spectroscopy (CP/MAS) has been utilized to extract the molecular structure information of Taxol, which is an anti-tumor therapeutic medicine extracted from the yew bark. The 13C signals have chemical shift values quite consistent with those measured in solution phase, and the overall chemical shift range is over 200 ppm. Notably, most of the 13C resonances of the taxane ring have two clearly resolved spectral components except the resonance peaks of C-15, C-16 and C-17, which are located at the central part of the taxane ring. On the basis of our NMR data, we propose that these doublets originate from two slightly different molecular conformations of the taxane ring and still the central part of the ring remains structurally similar. Furthermore, it is demonstrated that the 13C chemical shift difference deduced from the doublet splittings can serve as a direct measure of the structural difference between the two conformations, which could possibly correlate with the anti-tumor activity of Taxol.

This paper is free to view to spectroscopyNOW registered users until July 2006. After this time it will be available via Wiley's Pay-Per-View service for US$25.

CLICK HERE to display the source webpage from "" for the material below


The root of Chinese medicine
[April 15, 2006]

Huᮧq���s a plant root used in one of the most common tonics of Chinese herbal medicine with purported activity in cancer, diabetes, inflammation, and nephritis. As such, there is a lot of interest in the active ingredients of this species as it might lead to novel pharmaceuticals against a range of illnesses. Now, researchers in China have used proton NMR to identify active components, and report their results in the journal Magnetic Resonance in Chemistry.

Xingang Du, Yanjing Bai, Hong Liang, Zhiying Wang, Yuying Zhao, and Qingying Zhang of the School of Pharmaceutical Sciences, at Peking University Health Science Center, in Beijing and Luqi Huang of the Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, also in Beijing, have focused on the chemistry of extracts of Astragalus membranaceus var. mongholicus. The dry roots of this leguminous plant, more usually known as Radix Astragali, or huᮧq���yellow leader) in traditional Chinese medicine (TCM) is one of the most important tonics used to reinforce "Qi" (the principle of vital energy in TCM). Practitioners claim that this strengthens superficial resistance to disease, promotes the discharge of pus and the growth of new tissue. In clinical tests it has demonstrated physiological activity in liver protection, as an antioxidant, an antiviral compound, and in lowering blood pressure and stimulating the immune system.

The researchers used one- and two-dimensional NMR, including 1H, 13C, COSY, HSQC, HMBC, and NOESY sequencesto establish structures of extracts of huᮧq���They isolated four 3'-hydroxy-4'-methoxy-isoflavonoids from the dried roots. Namely, calycosin-7-O-beta-D-glucopyranoside, calycosin, pratensein-7-O-beta-D-glucopyranoside, and pratensein. This latter compound was previously unknown and represents a potential new lead for the development of novel pharmaceuticals from this traditional remedy.

Interestingly, the team found that during structural elucidation of the compounds, solvent obscured the proton signal patterns somewhat producing mis-assignments. The team therefore used a range of deuterated solvents to side-step this issue and were able to correctly assign the novel compound with confidence as well as correct the previously reported literature structures for the others.

Related links:
Magn. Reson. Chem., in press
Zhang's Institute Page