SMCRG

Welcome to Synthetic and Medical Chemistry Research Group

Welcome to the homepage of the Synthetic and Medicinal Chemistry Research Group (SMCRG). Our group was established in 2013 by Dr. Rajshekhar Karpoormath and is one of the fastest emerging groups in the University of KwaZulu-Natal (UKZN), South Africa, providing unique expedient environment for graduate, postgraduate, Ph.D. and Post-doctoral research. SMCRG has expertise in a wide range of disciplines that includes medicinal, organic, computational and electroanalytical chemistry. For more information on our research group, please use the links on the left of the page.

Our Group

SMCRG has expertise in a wide range of disciplines that includes medicinal, organic, computational and electroanalytical chemistry. Our strengths lie in structure-based drug design, synthetic medicinal and organic chemistry focussing on discovery and development of anti-HIV, anti-cancer, anti-tubercular and anti-microbial compounds. The objective of the group is to optimise the potency, selectivity and bioavailability of a pharmacologically active compound, while minimising its side-effects. We also investigate the optimization of existing drugs, identify and synthesise the metabolic products of these drugs and related compounds. We pursue small molecule hits from high throughput screens (HTS), perform lead optimization studies to develop structure-activity-relationships (SAR) and ultimately deliver small molecules with acceptable properties to validate novel targets/mechanisms in vivo and in vitro. Some of our projects involves some targeted synthesis involving modern synthesis methodology such as organocatalysis and metal-based catalysis. We collaborate closely with other national and international research groups, both in academia and pharmaceutical industry.

Funding

Currently, our research programs are supported by College of Health Sciences, UKZN and National Research Foundation (NRF) South Africa.

Collaborations

Collaborations are crucial to the growth and development of new knowledge, both for the group and our collaborators. SMCRG has a broad base of national and international collaborators in the field of electrochemistry and drug-related research.

INTERNATIONAL COLLABORATORS

National Institute of Allergy and Infectious Diseases (NIAID), Bethesda, USA.
National Institute of Health (NIH), Bethesda, USA.
M S University of Baroda, Gujarat, India.
Shree Dhanvantary Pharmacy College, Gujarat, India.
KLES College of Pharmacy, Belgaum, India.
R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur.
Palacky University of Olomouc, Czechoslovakia.
Department of Chemistry, Indian Institute of Technology Mumbai, India
Department of Chemistry, Indian Institute of Technology Roorkee, India.
Division of Physics & Semiconductor Science, Dongguk University, Seoul 100-715, South Korea.

NATIONAL COLLABORATORS

Inkosi Albert Luthuli Central Hospital, Durban.
International Centre for Genetic Engineering and Biotechnology (ICGEB), Cape Town.

INDUSTRIAL COLLABORATORS

Aadarsh Innovations, Pune, India.

Unique Med Chem, Maharashtra, India.

The program presents the platform for Masters’ students to go under the student exchange program enriching the research skills and exchange of scientific knowledge.

SMCRG is having an educational collaboration with Shree Dhanvantary Pharmacy College, India.

Masters’ students, Chirag and Kirti, from Shree Dhanvantary Pharmacy College, India with Dr. Karpoormath in the synthesis lab at UKZN, Westville, South Africa

Location

SMCRG is located in Durban (Zulu: eThekwini, from itheku meaning “bay/lagoon”), a coastal city in eastern South Africa’s KwaZulu-Natal province. Renowned for its African, Indian and colonial influences, it is also seen as one of the major centres of tourism because of the city’s warm subtropical climate and extensive beaches.

Located on the western side of Durban, the University of KwaZulu Natal (Westville campus) is SO CENTRAL to Durban life that it makes the Area the most practical & affordable accommodation & hospitality node for your exploration of the Greater Durban Region. Sun, fun and Pleasure activities are a mere 10 – 15 minutes drive away along several excellent road networks (and 30 mins away from King Shaka International Airport). Westville is definitely a place for everyone to experience.

Medical Compounds of Research Interest

Drug Targets of our Research Group

Important Links

https://pharmacy.ukzn.ac.za/Homepage.aspx

Organic synthesis:

www.orgsyn.org/

http://www.iupac.org/

Crystallography website:

http://www.ccdc.cam.ac.uk/pages/Home.aspx

Drug Design and Discovery website-softwares:

http://www.chpc.ac.za/

http://www.osdd.net

1) TBrowse :Largest integrative genomic resource on Mtb H37Rv

2) CRDD : Comprehensive resource for drug discovery

3) OSDDChem : Database of molecules with anti-TBdrug like properties

4) MetaPred: Predict cytochrome P450 isoform responsible for drug metabolism

5) KetoDrug : binding affinity prediction of ketoxazole derivatives against FAAH

6) KiDoq: Docking energy score based prediction of antibacterials

7) ccPDB : Compilation and creation of datasets from PDB

8) GiDoQ : QSAR and docking prediction of Mtb inhibitors

http://www.rcsb.org/pdb/home/home.do

http://159.149.85.2/cms/index.php?Software_projects:VEGA_ZZ

Docking Studies Free Softwares:

http://autodock.scripps.edu/

http://www.swissdock.ch/

http://www.eyesopen.com/oedocking

Database Screening:

http://zinc.docking.org/search/structure

http://www.maybridge.com/

Ligand-based drug-design softwares:

http://www.simulations-plus.com/Products.aspx?grpID=1&cID=13&pID=12

http://www.certara.com/products/molmod/sybyl-x/qsar/

http://www.clcbio.com/products/clc-drug-discovery-workbench/

http://www.compudrug.com/

Pharmacological screening website:

http://www.nih.gov/

General Literature Search:

https://scifinder.cas.org

http://www.ncbi.nlm.nih.gov/pubmed

Chemical Structure drawing softwares:

https://www.cambridgesoft.com/software/overview.aspx

http://accelrys.com/products/informatics/cheminformatics/draw/index.html

In silico activity screening website:

http://www.pharmaexpert.ru/passonline/

Toxicity Prediction website:

http://www.tox-portal.net/index.html

Analytical Instrumentation softwares:

http://www.shimadzu.com/

http://www.perkinelmer.com/

http://www.thermoscientific.com/en/home.html

http://www.geinstruments.com/products-and-services/software

http://www.chem.agilent.com

https://www.bruker.com/products/mr/nmr.html

Free Reference Manager Servers:

https://www.mendeley.com/

http://endnote.com/

Plagiarism Identification Tool:

http://turnitin.com/

Selected Publications

1. R. A. Rane, S. Karunanidhi, K. Jain, M. Shaikh, G. Hampannavar and R. Karpoormath, Curr. Top. Med. Chem. (Sharjah, United Arab Emirates), 2016, 16, 1262-1289.W. S. Alwan, A. A.

2. N. Thapliyal, T. E. Chiwunze, R. Karpoormath, R. N. Goyal, H. Patel and S. Cherukupalli, RSC Adv., 2016, 6, 57580-57602.

3. G. A. Hampannavar, R. Karpoormath, M. B. Palkar and M. S. Shaikh, Bioorg. Med. Chem., 2016, 24, 501-520.

4. G. A. Hampannavar, R. Karpoormath, M. B. Palkar, M. S. Shaikh and B. Chandrasekaran, ACS Med. Chem. Lett., 2016, 7, 686-691.

5. Mahajan, R. A. Rane, A. A. Amritkar, S. S. Naphade, M. C. Yerigiri and R. Karpoormath, Anti-Cancer Agents Med. Chem., 2015, 15, 1012-1025.

6. R. Karpoormath, M. B. Palkar, H. M. Patel, R. A. Rane, M. S. Shaikh, A. Kajee and K. P. Mlisana, Eur. J. Med. Chem., 2015, 95, 514-525.

7. M. S. Shaikh, R. Karpoormath, N. Thapliyal, R. A. Rane, M. B. Palkar, A. M. Faya, H. M. Patel, W. S. Alwan, K. Jain and G. A. Hampannavar, Anti-Cancer Agents Med. Chem., 2015, 15, 1049-1065.

8. R. Rane and R. Karpoormath, Anticancer Agents Med Chem, 2015, 15, 932.

9. A. A. Mahajan, R. A. Rane, A. A. Amritkar, S. S. Naphade, P. B. Miniyar, P. K. Bangalore and R. Karpoormath, Anti-Cancer Agents Med. Chem., 2015, 15, 555-564.

10. N. S. E. Osman, N. Thapliyal, W. S. Alwan, R. Karpoormath and T. Moyo, J. Mater. Sci.: Mater. Electron., 2015, 26, 5097-5105.

11. M. B. Palkar, S. S. Jalalpure, R. A. Rane, H. M. Patel, M. S. Shaikh, G. A. Hampannavar, W. S. Alwan, G. S. Bolakatti and R. Karpoormath, Anti-Cancer Agents Med. Chem., 2015, 15, 970-979.

12. M. B. Palkar, D. M. Praveen, P. M. Ronad, A. H. M. Viswanathswamy, R. A. Rane, H. M. Patel, M. S. Shaikh, G. A. Hampannavar, K. S. Jain and R. Karpoormath, Med. Chem. Res., 2015, 24, 1988-2004.

13. R. A. Rane, R. Karpoormath, S. S. Naphade, P. Bangalore, M. Shaikh and G. Hampannavar, Bioorg. Chem., 2015, 61, 66-73.

14. H. Patel, K. Dhangar, Y. Sonawane, S. Surana, R. Karpoormath, N. Thapliyal, M. Shaikh, M. Noolvi and R. Jagtap, Arabian J. Chem., 2015, Ahead of Print.

15. H. Patel, Y. Sonawane, R. Jagtap, K. Dhangar, N. Thapliyal, S. Surana, M. Noolvi, M. S. Shaikh, R. A. Rane and R. Karpoormath, Bioorg. Med. Chem. Lett., 2015, 25, 1938-1946.

16. H. M. Patel, P. Bari, R. Karpoormath, M. Noolvi, N. Thapliyal, S. Surana and P. Jain, RSC Adv., 2015, 5, 56724-56771.

17. H. M. Patel, R. Rane, N. Thapliyal, M. Palkar, M. Shaikh and R. Karpoormath, Anti-Cancer Agents Med. Chem., 2015, 15, 988-1011.

18. H. M. Patel, B. Sing, V. Bhardwaj, M. Palkar, M. S. Shaikh, R. Rane, W. S. Alwan, A. K. Gadad, M. N. Noolvi and R. Karpoormath, Eur. J. Med. Chem., 2015, 93, 599-613.

19. R. A. Rane, S. S. Naphade, P. K. Bangalore, M. B. Palkar, M. S. Shaikh and R. Karpoormath, Bioorg. Med. Chem. Lett., 2014, 24, 3079-3083.

20. R. Rane, N. Sahu, C. Shah and R. Karpoormath, Curr. Top. Med. Chem. (Sharjah, United Arab Emirates), 2014, 14, 253-273.

21. M. B. Palkar, A. S. Singhai, P. M. Ronad, A. H. M. Vishwanathswamy, T. S. Boreddy, V. P. Veerapur, M. S. Shaikh, R. A. Rane and R. Karpoormath, Bioorg. Med. Chem., 2014, 22, 2855-2866.

22. M. S. Shaikh, M. B. Palkar, H. M. Patel, R. A. Rane, W. S. Alwan, M. M. Shaikh, I. M. Shaikh, G. A. Hampannavar and R. Karpoormath, RSC Adv., 2014, 4, 62308-62320.

23. R. A. Rane, M. Nandave, S. Nayak, A. Naik, D. Shah, W. S. Alwan, N. U. Sahu, S. S. Naphade, M. B. Palkar, S. Karunanidhi, N. Thapliyal and R. Karpoormath, Arabian J. Chem., 2014, Ahead of Print.

24. R. Karpoormath, Y. Sayed, T. Govender, H. G. Kruger, M. E. S. Soliman and G. E. M. Maguire, Med. Chem. Res., 2013, 22, 3918-3933.

25. R. Karpoormath, F. Albericio, T. Govender, G. E. M. Maguire and H. G. Kruger, Struct. Chem., 2013, 24, 1461-1471.

26. R. Karpoormath, Y. Sayed, P. Govender, T. Govender, H. G. Kruger, M. E. S. Soliman and G. E. M. Maguire, Bioorg. Chem., 2012, 40, 19-29.

27. A. K. Gadad, M. N. Noolvi and R. V. Karpoormath, Bioorg. Med. Chem., 2004, 12, 5651-5659.

Discipline of Pharmaceutical Sciences

SMCRG

Inspiring Greatness