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.
Currently, our research programs are supported by College of Health Sciences, UKZN and National Research Foundation (NRF) South Africa.
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.
Aadarsh Innovations, Pune, India.
Unique Med Chem, Maharashtra, India.
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
Drug Design and Discovery website-softwares:
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
Docking Studies Free Softwares:
Ligand-based drug-design softwares:
Pharmacological screening website:
General Literature Search:
Chemical Structure drawing softwares:
In silico activity screening website:
Toxicity Prediction website:
Analytical Instrumentation softwares:
Free Reference Manager Servers:
Plagiarism Identification Tool:
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.
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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.
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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.
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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.
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