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    Current strategies in targeted anticancer drug delivery systems to brain
    (Elsevier, 2021) Bania, Ratnali; Borah, Pobitra; Deka, Satyendra; Dahabiyeh, Lina A.; Singh, Vinayak; Al-Shar’i, Nizar A.; Nair, Anroop B.; Goyal, Manoj; Venugopala, Katharigatta N.; Tekade, Rakesh Kumar; Deb, Pran Kishore; Dua, Kamal; Mehta, Meenu; de Jesus Andreoli Pinto, Terezinha; Pont, Lisa; Williams, Kylie; Rathbone, Michael
    Advanced Drug Delivery Systems in the Management of Cancer discusses recent developments in nanomedicine and nano-based drug delivery systems used in the treatment of cancers affecting the blood, lungs, brain, and kidneys. The research presented in this book includes international collaborations in the area of novel drug delivery for the treatment of cancer. Cancer therapy remains one of the greatest challenges in modern medicine, as successful treatment requires the elimination of malignant cells that are closely related to normal cells within the body. Advanced drug delivery systems are carriers for a wide range of pharmacotherapies used in many applications, including cancer treatment. The use of such carrier systems in cancer treatment is growing rapidly as they help overcome the limitations associated with conventional drug delivery systems. Some of the conventional limitations that these advanced drug delivery systems help overcome include nonspecific targeting, systemic toxicity, poor oral bioavailability, reduced efficacy, and low therapeutic index. This book begins with a brief introduction to cancer biology. This is followed by an overview of the current landscape in pharmacotherapy for the cancer management. The need for advanced drug delivery systems in oncology and cancer treatment is established, and the systems that can be used for several specific cancers are discussed. Several chapters of the book are devoted to discussing the latest technologies and advances in nanotechnology. These include practical solutions on how to design a more effective nanocarrier for the drugs used in cancer therapeutics. Each chapter is written with the goal of informing readers about the latest advancements in drug delivery system technologies while reinforcing understanding through various detailed tables, figures, and illustrations. Advanced Drug Delivery Systems in the Management of Cancer is a valuable resource for anyone working in the fields of cancer biology and drug delivery, whether in academia, research, or industry. The book will be especially useful for researchers in drug formulation and drug delivery as well as for biological and translational researchers working in the field of cancer.
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    Crystallography, molecular modeling, and COX-2 inhibition studies on indolizine derivatives
    (MDPI AG, 2021-06) Venugopala, Katharigatta N.; Chandrashekharappa, Sandeep; Tratrat, Christophe; Deb, Pran Kishore; Nagdeve, Rahul D.; Nayak, Susanta K.; Morsy, Mohamed A.; Borah, Pobitra; Mahomoodally, Fawzi M.; Mailavaram, Raghu Prasad; Attimarad, Mahesh; Aldhubiab, Bandar E.; Sreeharsha, Nagaraja; Nair, Anroop B.; Alwassil, Osama I.; Haroun, Michelyne; Mohanlall, Viresh; Shinu, Pottathil; Venugopala, Rashmi; Kandeel, Mahmoud; Nandeshwarappa, Belakatte P.; Ibrahim, Yasmine F.
    The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the advantage of reduced side-effects, which result from COX-1 inhibition that is usually observed with nonselective COX inhibitors. In this study, the design and synthesis of a new series of 7-methoxy indolizines as bioisostere indomethacin analogues (5a–e) were carried out and evaluated for COX-2 enzyme inhibition. All the compounds showed activity in micromolar ranges, and the compound diethyl 3-(4-cyanobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate (5a) emerged as a promising COX-2 inhibitor with an IC50 of 5.84 µM, as compared to indomethacin (IC50 = 6.84 µM). The molecular modeling study of indolizines indicated that hydrophobic interactions were the major contribution to COX-2 inhibition. The title compound diethyl 3-(4-bromobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate (5c) was subjected for single-crystal X-ray studies, Hirshfeld surface analysis, and energy framework calculations. The X-ray diffraction analysis showed that the molecule (5c) crystallizes in the monoclinic crystal system with space group P 21/n with a = 12.0497(6)Å, b = 17.8324(10)Å, c = 19.6052(11)Å, α = 90.000°, β = 100.372(1)°, γ = 90.000°, and V = 4143.8(4)Å3. In addition, with the help of Crystal Explorer software program using the B3LYP/6-31G(d, p) basis set, the theoretical calculation of the interaction and graphical representation of energy value was measured in the form of the energy framework in terms of coulombic, dispersion, and total energy.