Imidazoline-1 Receptor Ligands as apoptotic agents: Pharmacophore Modeling and Virtual Docking study.

In this study we examined apoptotic activity of rilmenidine (potent I1-IR agonist), moxonidine (moderate I1-IR agonist), and efaroxan (I1-IR partial agonist) on cancer cell line (K562) expressing Nischarin. The Nischarine domains mapping was performed by use of the Informational Spectrum Method. (ISM). The 3D-Quantitative Structure-Activity Relationship (3D-QSAR) and virtual docking studies of 29 I1-IR ligands (agonists, partial agonists, and antagonists) were carried out on I1-IR receptors binding affinities. The 3D-QSAR study defined 3D-pharmacophore models for I1-IR agonistic and I1-IR antagonistic activity and created regression model for prediction of I1-IR activity of novel compounds. The 3D-QSAR models were applied for design and evaluation of novel I1-IR agonists and I1-IR antagonists. The most promising I1-IR ligands with enhanced activities than parent compounds were proposed for synthesis. The results of 3D-QSAR, ISM, and virtual docking studies were in perfect agreement and allowed precise definition of binding mode of I1-IR agonists (Arg 758, Arg 866, Val 981, and Glu 1057) and significantly different binding modes of I1-IR antagonists or partial I1-IR agonists.  The performed theoretical study provides reliable system for evaluation of I1-IR agonistic and I1-IR antagonistic activity of novel I1-IR ligands, as drug candidates with anticancer activities. PMID: 23360165 [PubMed - as supplied by publisher]
Source: Combinatorial Chemistry and High Throughput Screening - Category: Chemistry Authors: Tags: Comb Chem High Throughput Screen Source Type: research

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Fight Aging! publishes news and commentary relevant to the goal of ending all age-related disease, to be achieved by bringing the mechanisms of aging under the control of modern medicine. This weekly newsletter is sent to thousands of interested subscribers. To subscribe or unsubscribe from the newsletter, please visit: Longevity Industry Consulting Services Reason, the founder of Fight Aging! and Repair Biotechnologies, offers strategic consulting services to investors, entrepreneurs, and others interested in the longevity industry and its complexities. To find out m...
Source: Fight Aging! - Category: Research Authors: Tags: Newsletters Source Type: blogs
Conclusion: the therapeutic effect of small molecule targeting drug apatinib on gastric cancer is better than that of other drugs, whether in therapeutic effect, drug resistance, adverse reactions or infection control. This study has important reference significance for the follow-up treatment of apatinib and cancer.
Source: Saudi Journal of Biological Sciences - Category: Biology Source Type: research
AbstractIntroductionThe present study aimed to indirectly compare apalutamide and enzalutamide with respect to tolerability and health-related quality of life (HRQoL) among men with non-metastatic castration-resistant prostate cancer (nmCRPC).MethodsPatient-level data from the SPARTAN study [apalutamide  + androgen deprivation therapy (ADT) versus placebo + ADT] and aggregate published data from the PROSPER study (enzalutamide + ADT versus placebo + ADT) were used. Anchored matching-adjusted indirect comparison (MAIC) was conducted by weighting patients’ baselin...
Source: Advances in Therapy - Category: Drugs & Pharmacology Source Type: research
CONCLUSIONS: Both low and high Hgb levels were associated with an increased risk of death from various causes, and some diseases showed different patterns according to sex. PMID: 31795616 [PubMed - in process]
Source: Journal of Preventive Medicine and Public Health - Category: International Medicine & Public Health Tags: J Prev Med Public Health Source Type: research
[Daily Maverick] In the shadow of HIV many things are hidden. Do a quick Google search ('in the shadow of HIV') and a torrent of disease and social ills will blast across your browser. You'll find gender-based violence and stigma, sugar-daddies, obesity and hypertension, patriarchy, cancer and diabetes, denial, guilt, and the opioid crisis. Also hiding, deep in the shadows, are adolescent boys and young men.
Source: AllAfrica News: HIV-Aids and STDs - Category: Infectious Diseases Source Type: news
Publication date: Available online 3 December 2019Source: Pharmacological ResearchAuthor(s): Carlo Fumagalli, Niccolò Maurizi, Niccolò Marchionni, Diego FornasariAbstractThe pharmacological class of β-blockers includes a plea of molecules with largely different pharmacokinetic and pharmacodynamic characteristics with a protective effect that may span far beyond the cardiovascular system. Although all these compounds share the pharmacological blockade of the adrenergic receptors, each of them is characterized by specific pharmacological properties, including selectivity of action depending on the adrenerg...
Source: Pharmacological Research - Category: Drugs & Pharmacology Source Type: research
CONCLUSIONS: Apatinib can improve the disease control rate of recurrent and metastatic cervical cancer when chemotherapy has failed, and the treatment is well tolerated. This represents that apatinib may be a new treatment option for metastatic cervical cancer patients. PMID: 31788992 [PubMed - as supplied by publisher]
Source: Journal of Gynecologic Oncology - Category: OBGYN Tags: J Gynecol Oncol Source Type: research
Drinking alcohol causes damage to your health in both the short term and long term, even for moderate drinkers. For individuals who suffer from addiction to alcohol and frequently drink in excess, these risks become higher. Knowing the risks of drinking alcohol is important to help avoid drinking to excess and reduce the likelihood of these risks. Short-Term Risks of Drinking Alcohol There are many short-term risks that occur when drinking alcohol. These risks can happen to anyone, including individuals suffering from alcohol use disorder, or individuals who are drinking for the very first time. Injuries When you drink al...
Source: Cliffside Malibu - Category: Addiction Authors: Tags: Alcoholism alcohol abuse alcohol dependence alcohol dependency alcohol detox alcohol treatment alcohol treatment center alcohol treatment facility alcohol use risks Source Type: blogs
CONCLUSION: 'AVNRT of the sick' has not been previously described in the medical literature, to our knowledge. It can be successfully treated with medications and the chance of recurrence after resolution of the acute illness is small. PMID: 31802764 [PubMed - in process]
Source: Turk Kardiyoloji Dernegi arsivi - Category: Cardiology Authors: Tags: Turk Kardiyol Dern Ars Source Type: research
Abstract With the onset of a metabolic syndrome epidemic and the increasing life expectancy, erectile dysfunction (ED) has become a more common condition. As incidence and prevalence increase, the medical field is focused on providing more appropriate therapies. It is common knowledge that ED is a chronic condition that is also associated with a myriad of other disorders. Conditions such as aging, diabetes mellitus, hypertension, obesity, prostatic hypertrophy, and prostate cancer, among others, have a direct implication on the onset and progression of ED. Characterization and recognition of risk factors may help ...
Source: Asian Journal of Andrology - Category: Urology & Nephrology Authors: Tags: Asian J Androl Source Type: research
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