Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives

Informatics and Computational Methods in Natural Product Drug Discovery: A Review and Perspectives Joseph D. Romano1,2,3,4 and Nicholas P. Tatonetti1,2,3,4* 1Department of Biomedical Informatics, Columbia University, New York, NY, United States 2Department of Systems Biology, Columbia University, New York, NY, United States 3Department of Medicine, Columbia University, New York, NY, United States 4Data Science Institute, Columbia University, New York, NY, United States The discovery of new pharmaceutical drugs is one of the preeminent tasks—scientifically, economically, and socially—in biomedical research. Advances in informatics and computational biology have increased productivity at many stages of the drug discovery pipeline. Nevertheless, drug discovery has slowed, largely due to the reliance on small molecules as the primary source of novel hypotheses. Natural products (such as plant metabolites, animal toxins, and immunological components) comprise a vast and diverse source of bioactive compounds, some of which are supported by thousands of years of traditional medicine, and are largely disjoint from the set of small molecules used commonly for discovery. However, natural products possess unique characteristics that distinguish them from traditional small molecule drug candidates, requiring new methods and approaches for assessing their therapeutic potential. In this review, we investigate a number of state-of-the-art techniques in bioinformatics...
Source: Frontiers in Genetics - Category: Genetics & Stem Cells Source Type: research

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ConclusionsHypothalamic EPO plays a role in the central regulation of muscle and metabolic physiology while its decline contributes to aging and obesity physiology in a manner which is independent of peripheral EPO.
Source: Molecular Metabolism - Category: Endocrinology Source Type: research
This study investigated the protein expression profile of STC1 in PCa and benign prostatic hyperplasia (BPH) samples and STC1 signalling during cell proliferation and cell death in vitro using cell lines. We found higher levels of STC1 in PCa when compared to BPH tissue and that STC1 inhibited forskolin stimulation of cAMP in PC-3 cells. A monoclonal antibody against STC1 was effective in reducing cell proliferation, in promoting cell cycle arrest, and in increasing apoptosis in the same cells. Since STC1 acts as a regulator of prostatic tissue signalling, we suggest that this protein is a novel candidate biomarker for p...
Source: Molecular and Cellular Endocrinology - Category: Endocrinology Source Type: research
Publication date: Available online 6 December 2019Source: Canadian Journal of DiabetesAuthor(s): Tomoyuki Kawada
Source: Canadian Journal of Diabetes - Category: Endocrinology Source Type: research
Publication date: November–December 2019Source: Diabetes &Metabolic Syndrome: Clinical Research &Reviews, Volume 13, Issue 6Author(s):
Source: Diabetes and Metabolic Syndrome: Clinical Research and Reviews - Category: Endocrinology Source Type: research
CONCLUSIONS: CNB and SSNB have similar effects on pain relief, complications and functional recovery in patients receiving TKA. The optimal analgesic regimen for patients after TKA needs further identification. PMID: 31808660 [PubMed - as supplied by publisher]
Source: Minerva Anestesiologica - Category: Anesthesiology Tags: Minerva Anestesiol Source Type: research
Our weekly DiabetesMine advice column answers a question about BPA exposure and its effect on diabetes.
Source: Diabetes Mine - Category: Endocrinology Authors: Source Type: blogs
ConclusionLCH mostly occurs in children. In head and neck it affects principally the mastoid part of the temporal bone. Treatments include surgery, chemotherapy, and irradiation. Most patients enjoy good prognoses. LCH accompanied by TCS is rare and increases the difficulty of diagnosis; molecular data aid in TCS identification.
Source: American Journal of Otolaryngology - Category: Endocrinology Source Type: research
Publication date: Available online 6 December 2019Source: Trends in Pharmacological SciencesAuthor(s): Lorenzo GalluzziAlthough somatic KRAS mutations are common in human tumors, no inhibitor of mutant KRAS was clinically available until recently. Canon and colleagues describe the ability of a clinically available KRASG12C inhibitor to drive immunogenic cancer cell death, thus constituting a promising combinatorial partner for immune checkpoint blockers.
Source: Trends in Pharmacological Sciences - Category: Drugs & Pharmacology Source Type: research
In conclusion, the results suggest that, because of its bioactivity including the antioxidant, antimicrobial, and enzyme inhibition properties, the D. macrolepis can be accepted as a promising and natural source for the industrial applications. The present study is the first study, in which the bioactive components and the antioxidant, antimicrobial, and enzyme inhibition properties of endemic D. macrolepis plant were determined.
Source: Saudi Pharmaceutical Journal - Category: Drugs & Pharmacology Source Type: research
Publication date: Available online 7 December 2019Source: Saudi Pharmaceutical JournalAuthor(s): Khalid A. Alburikan, Hatem A. AbuelizzAbstractBackgroundMiddle East Respiratory Syndrome (MERS) is a respiratory disease caused by a novel coronavirus that was identified in 2012 in Saudi Arabia. It is associated with significant mortality and morbidity. We identified factors associated with the Middle East Respiratory Syndrome-Coronavirus (MERS‐CoV) infection among suspected cases presented with sign and symptoms of upper respiratory infection or exposure to the virus. We also looked at the impact of medication history on vi...
Source: Saudi Pharmaceutical Journal - Category: Drugs & Pharmacology Source Type: research
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