A multi-spectroscopic, computational and molecular modeling studies on anti-apoptotic proteins with Boc-D-Lys-OH

In this study; spectroscopic, electronic and biological properties of Boc-D-Lys-OH (BDLO) molecule have been examined using quantum chemical calculations. First of all, the molecule was optimized and geometric structure parameters and vibrational wavenumbers were calculated by DFT/ B3LYP methods 6-311G++(d,p) basis set. The calculated wavenumbers were then compared with the experimental values of the FT-IR and FT-Raman spectra. Finally, the molecular docking was determined for anti apoptotic proteins with BDLO molecule. The results showed Boc-D-Lys-OH molecule had more binding affinity with AKT1 and concluded this molecule can be used as a potential inhibitor of anti apoptotic proteins and a novel chemotherapy molecule. The electronic properties such as frontier molecular orbital and molecular electrostatic potential (MEP) obtained from these methods at different solvent conditions and gas phase were also studied.Graphical abstract
Source: Journal of Molecular Structure - Category: Molecular Biology Source Type: research

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CONCLUSIONS: Results should support a policy of strengthening medical doctors' capabilities to communicate with patients, providing them complete information and involving them in the clinical decisions. Specifically, the findings should be used to improve current provision of cancer care by identifying areas of preferred intervention from the perspectives of patients in order to tailor the service supply accordingly. PMID: 31535573 [PubMed - as supplied by publisher]
Source: Current Medical Research and Opinion - Category: Research Tags: Curr Med Res Opin Source Type: research
Conclusions: Mortalin promotes cell proliferation, metastasis, angiogenesis, downregulate apoptotic signaling. Thus, mortalin is a potential therapeutic target for cancer immunotherapy. The novel SMRwt peptides antagonize the functions of mortalin, blocking tumor extracellular vesicle release and extracellular vesicle-mediated release of complement. This leads to decreases in breast cancer cell metastasis and allows standard treatment of these late stage tumor cells, thus having important clinical implications for late stage breast cancer chemotherapy. These findings support further investigation into the therapeutic value...
Source: Oncotarget - Category: Cancer & Oncology Tags: Oncotarget Source Type: research
Publication date: Available online 19 September 2019Source: Chemico-Biological InteractionsAuthor(s): Prachurjya Dutta, Ravi Kumar Sahu, Tapan Dey, Manisha Datta Lahkar, Prasenjit Manna, Jatin KalitaAbstractInsect-based bioactive components are emerging as novel sources of drugs, effective against various diseases. Inflammation is considered to be an innate immune response developed by different organisms against foreign pathogens and cellular stress. However, repetitive elevated inflammation is considered to be responsible for development of many other diseases including colitis and arthritis. Due to the limited activitie...
Source: Chemico Biological Interactions - Category: Biochemistry Source Type: research
[allAfrica] Johannesburg -The government of Senegal will begin to offer free breast or cervical cancer chemotherapy in public hospitals from October 2019, reports the BBC.
Source: AllAfrica News: Health and Medicine - Category: African Health Source Type: news
Publication date: Available online 13 September 2019Source: International Journal of PharmaceuticsAuthor(s): Jieying Cai, Shiwen Luo, Xueli Lv, Yingguang Deng, Hongyuan Huang, Boxin Zhao, Qing Zhang, Guofeng LiAbstractTo develop a new drug delivery system is one of the useful approaches to break through the limitation of hydroxycamptothecin (HCPT), a typical DNA topoisomerase I (Topo I) inhibitor in clinical appliance. Injectable glycyrrhizic acid-hydroxycamptothecin (GL-HCPT) micelles that were able to dramatically improve the solubility and stability of HCPT were prepared through self-assembly process and evaluated both ...
Source: International Journal of Pharmaceutics - Category: Drugs & Pharmacology Source Type: research
The AVANOVA2 trial enrolled a total of 97 patients with high-grade serous or endometrioid platinum-sensitive recurrent ovarian cancer.
Source: CancerNetwork - Category: Cancer & Oncology Authors: Source Type: news
Authors: Rezaeian M, Sedaghatkish A, Soltani M Abstract Although intraperitoneal chemotherapy (IPC) has been suggested as a promising method for the management of peritoneal dissemination (PD) of ovarian or colorectal cancers, the actual clinical use of this method has been restricted due to such problems as poor drug penetration into the tumor and high side effects. It is, therefore, necessary to develop new strategies to improve the efficacy of this approach. In the present work, a new strategy is proposed based on intraperitoneal (IP) injection of thermosensitive liposomal doxorubicin (TSL-Dox) with triggered re...
Source: Drug Delivery - Category: Drugs & Pharmacology Tags: Drug Deliv Source Type: research
Conclusion: This case demonstrates the importance of a broad differential diagnosis for a child presenting with leg pain and fever. PMID: 31528139 [PubMed]
Source: Ochsner Journal - Category: General Medicine Tags: Ochsner J Source Type: research
In conclusion, the addition of IPEC with MMC after CRS doubled the survival time and reduced tumor growth compared to CRS alone. Adding regional hyperthermia resulted in a modest improvement of treatment outcome.
Source: Clinical and Experimental Metastasis - Category: Cancer & Oncology Source Type: research
Cetuximab and panitumumab are two distinct monoclonal antibodies (mAbs) targeting the epidermal growth factor receptor (EGFR), and both are widely used in combination with chemotherapy or as monotherapy to treat patients with RAS wild-type metastatic colorectal cancer. Although often considered interchangeable, the two antibodies have different molecular structures and can behave differently in clinically relevant ways. More specifically, as an immunoglobulin (Ig) G1 isotype mAb, cetuximab can elicit immune functions such as antibody-dependent cell-mediated cytotoxicity involving natural killer cells, T-cell recruitment to...
Source: Frontiers in Oncology - Category: Cancer & Oncology Source Type: research
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