DSpace@MIT: Computational engineering of small molecules to treat infectious diseases
Rational drug design of small molecules has led to the development of robust therapeutics that are currently used in the clinic ... and designing novel therapeutics. On-target mutations in infectious diseases often render inhibitors ineffective and are one of ... Computational engineering of small molecules to treat infectious diseases. Research and Teaching Output of the MIT Community. ... We then implement this design scheme for HIV protease, yielding both flat and susceptible binders. Next, we apply rational drug ...https://dspace.mit.edu/handle/1721.1/109667
Expansion Therapeutics launches to target RNA with $55 million | January 8, 2018 Issue - Vol. 96 Issue 2 | Chemical &...
The RNA Drug Hunters * Arrakis launches to develop RNA-targeting small-molecule drugs ... Chemists have shunned RNA as a drug target for years, due to its floppy structure and the difficulty of designing drugs that ... They list the use of fragment based screening by NMR and artificial intelligence to design their drugs. They are in Europe, but ... Expansion Therapeutics launches to target RNA with $55 million. Start-up will develop small molecules targeting RNA in the ...https://cen.acs.org/articles/96/i2/Expansion-Therapeutics-launches-target-RNA.html
DSpace@MIT: Browsing Biological Engineering - Ph.D. / Sc.D. by Title
Rational drug design of small molecules has led to the development of robust therapeutics that are currently used in the clinic ... Computational analysis of biochemical networks for drug target identification and therapeutic intervention design ... However, key challenges remain in designing drugs against infectious disease targets that are ... ... The design and development of new proteins and small molecules has considerable practical application in medicine, industry, ...http://dspace.mit.edu/handle/1721.1/7769/browse?order=ASC&rpp=20&sort_by=1&etal=-1&offset=24&type=title
C&EN's 2017 10 startups to watch
Most small-molecule drugs target proteins, but Arrakis is designing compounds that bind RNA molecules. Those that bind mRNA-the ... Relay Therapeutics. Probing protein motion to tackle tough drug targets. By Lisa M. Jarvis. At a glance. ... Design, make, test, repeat. Exscientia's drug discovery begins by feeding its AI algorithms mounds of existing data, which are ... Yet if small molecules could target specific RNA strands, a vast new continent ripe for drug discovery would be opened. Of the ...https://cen.acs.org/articles/95/i44/10-chemistry-startups-to-watch-2017.html
Frontiers | Implementation of pharmacokinetic and pharmacodynamic strategies in early research phases of drug discovery and...
The purpose of this publication is to serve as a guide for drug discovery scientists towards optimal design and conduct of PK/ ... understand the mechanism of drug action and identify PK properties for further improvement and optimal compound design. ... understand the mechanism of drug action and identify PK properties for further improvement and optimal compound design. ... Effective PK/PD study design, analysis, and interpretation can help scientists elucidate the relationship between PK and PD, ...https://www.frontiersin.org/articles/10.3389/fphar.2014.00174/full
Kathleen Frey | LIU
We use 3D structures of both protein-based targets and small molecules to design new compounds with improved affinity, efficacy ... we can retrospectively examine the effects of drug target mutations on the binding of current therapeutics. Our understanding ... In addition to designing antiviral agents, Dr. Frey has worked collaboratively with other scientists in Yale Chemistry and ... Computational Prediction of Drug Resistance: Drug resistance is a major problem for therapeutics used to treat cancer and ...http://www.liunet.edu/Pharmacy/Research/Faculty/Kathleen-Frey
Regen BioPharma, Inc. Recruits Retinoid Experts Dr. Hinrich Gronemeyer, Dr. William S. Blaner, and Dr. Louise Purton to Serve...
This platform aims to design small molecules that can induce differentiation of cancer stem cells by designing ligands to ... ligands bind to their nuclear receptor target will provide us with invaluable insight during the preclinical stages of drug ... so we can develop small molecule therapeutics that circumvent the pitfalls of retinoic acid. Regen BioPharma is committed to ... in order to provide the Company with the expertise necessary to accelerate Regen's differentiation therapy small molecule drug ...http://www.marketwired.com/press-release/regen-biopharma-inc-recruits-retinoid-experts-dr-hinrich-gronemeyer-dr-william-s-blaner-otcbb-rgbp-2026505.htm
Drug Discovery : Pharmaceuticals : UK
Exscientia's automated design process mimics human creativity by designing molecules which integrate the wealth of available ... De novo compound design in silico. • Target prediction and off-target profiling. • Automating drug discovery by machine ... 15:50 Antibody-enabled small molecule drug discovery. Alastair Lawson, Head of Structural Biology and Research Fellow, UCB. ... Heptares Therapeutics; Janssen Pharmaceutica NV; leadXpro AG; Merck KGaA; MRC Technology; National Institute Of Advanced ...https://www.smi-online.co.uk/pharmaceuticals/uk/conference/drug-discovery?o=login&dl=cc&p1=5288&p2=969
DNA-directed RNA interference - Wikipedia
Unlike small interfering RNA (siRNA) therapeutics that turn over within a cell and consequently only silence genes transiently ... A particularly useful variant is a multi-cassette (Figure 2b). Designed to express two or more shRNAs, they can target multiple ... Tribetarna is a triple DNA cassette expressing three shRNA molecules that each separately target beta III tubulin and strongly ... "III-Tubulin is a Multifunctional Protein Involved in Drug Sensitivity and Tumorigenesis in Non-Small Cell Lung Cancer". Cancer ...https://en.wikipedia.org/wiki/DNA-directed_RNA_interference
Diabetes: Novel Therapeutic Developments : Pharmaceuticals : All
9:40 DISCOVERY AND DEVELOPMENT OF SMALL MOLECULE DRUGS IN DIABETES. Dr Andrés Negro-Vilar, Senior Vice President Research and ... Strategic planning of the drug discovery process *Identification of gene targets *Using their automated high throughput drug ... Designing and developing advanced infusion systems *The benefit of an implantable insulin pump *Developing a glucose sensor * ... Discovering new therapeutics with a variety of technologies *Genomics-based efforts *Attacking insulin secretion defects in ...http://www.smi-online.co.uk/pharmaceuticals/archive/9-1999/conference/diabetes?o=login&dl=br&p1=36
Molecules | Free Full-Text | Evolution of Complex Target SELEX to Identify Aptamers against Mammalian Cell-Surface Antigens |...
Nucleic acid aptamers (NAAs) represent a class of molecules able to meet this demand. In particular, aptamers, a class of small ... Such molecules should be simple in structure, yet stable enough for clinical applications. ... against almost any molecule. Since its introduction in 1990, in stages, SELEX technology has itself undergone several ... nucleic acid ligands that are composed of single-stranded modified/unmodified RNA/DNA molecules, can be evolved from a complex ...http://www.mdpi.com/1420-3049/22/2/215/htm
Combination Drug Delivery Approaches in Metastatic Breast Cancer
The journal serves researchers from academia and industry, and will publish articles ranging from basic biology of drug and ... Articles describing drug dosage forms will be considered. ... Journal of Drug Delivery is a peer-reviewed, Open Access ... Combination of Target-Specific Biologic Agent and Small Molecule Chemotherapeutic Agent. Small molecule chemotherapeutic agents ... However, these combination drug delivery system-based therapeutics are likely to be perceived by pharmaceutical companies as ...https://www.hindawi.com/journals/jdd/2012/915375/
Molecules | Free Full-Text | Antimicrobial Peptides for Therapeutic Applications: A Review | HTML
In this review, we focus on small peptides, especially those with less than twelve amino acids, and provide an overview of the ... For instance, unusual amino acids or peptido-mimetics are introduced to avoid the proteolytic degradation and the design of ... modification of the drug-binding site in target proteins, and efflux of the drug from target cells . Microorganisms can ... Fjell, C.D.; Hiss, J.A.; Hancock, R.E.; Schneider, G. Designing antimicrobial peptides: Form follows function. Nat. Rev. Drug ...http://www.mdpi.com/1420-3049/17/10/12276/htm
JoVE | Peer Reviewed Scientific Video Journal - Methods and Protocols
Medicine, Issue 79, Leukemia, Receptor Protein-Tyrosine Kinases, Molecular Targeted Therapy, Therapeutics, novel small molecule ... In order to design a better model system for these applications, phenotypically wild-type cortical astrocytes and neural stem ... Thus, designing relevant animal models of infection represents a key step in identifying host and pathogen specific mechanisms ... Initially, western blot analysis is used to confirm target inhibition in cultured leukemia cells. Functional activity is then ...https://www.jove.com/visualize/abstract/22957096/graft-versus-host-disease-bone-marrow-liver-thymus-humanized-mouse
An Integrated Computational and Experimental Binding Study Identifies the DNA Binding Domain as the Putative Binding Site of...
... is as a potential drug target for cancer and inflammation. Strategies to block STAT3 dimerization ha.. ... 2015) Small-molecule inhibitors targeting the DNA-binding domain of STAT3 suppresses tumor growth, metastasis and STAT3 target ... 2011) Fragment-based drug design and drug repositioning using multiple ligand simultaneous docking (MLSD): Identifying ... This study was to identify novel STAT3 inhibitors that may be developed into probes or therapeutics, and to investigate their ...https://www.omicsonline.org/open-access/an-integrated-computational-and-experimental-binding-study-identifies-the-dna-binding-domain-as-the-putative-binding-site-of-novel-2169-0138-1000142.php?aid=86256
Carb Synthesis Sheds Light on Promising Tuberculosis Drug Target
Im Focus: Demonstration of a single molecule piezoelectric effect. Breakthrough provides a new concept of the design of ... The researchers found that a small fatty component at the starting end binds to the enzyme and helps it track the length of the ... In addition to providing insight into what may be a general mechanism for designing and building carbohydrates, the work gives ... insight into developing new therapeutics against TB. The GlfT2 enzyme is essential for bacterial survival and growth but has ...http://www.innovations-report.com/html/reports/medicine-health/carb-synthesis-sheds-light-promising-tuberculosis-134695.html
... of principle that the targeting of Rev by small molecules could lead to the development of a novel class of HIV therapeutics. , ... strong, The Emergence of Drug Resistance among non Clade B Human Immunodeficiency Viruses,/strong, HIV-1 drug resistance assays ... We are also using cell-based screening assays to identify compounds that specifically target HIV Rev function. A recent screen ... Elucidating these processes provides information for the design of the next generation of anti-HIV drugs and also basic ...https://mic.med.virginia.edu/research-areas/cancer-biology?id=25960
Gary Peltz | Stanford Medicine Profiles
From mouse genetics to human therapeutics CURRENT OPINION IN DRUG DISCOVERY & DEVELOPMENT Peltz, G., Usuka, J. 2005; 8 (2): 253 ... Several small molecules, an antisense oligonucleotide, and gene therapeutic agents that inhibit NF-kappa b activation have been ... Guides that target regions with low nucleosome occupancy and high chromatin accessibility are clearly more effective. We also ... A dosing regimen for prevention of NAS was designed based on the model. The regimen involves IV administration of 4 mg to the ...https://med.stanford.edu/profiles/gary-peltz
Chemogenomics - Wikipedia
... is the systematic screening of targeted chemical libraries of small molecules against individual drug target families (e.g., ... Since a portion of ligands that were designed and synthesized to bind to one family member will also bind to additional family ... challenge of forward chemogenomics strategy lies in designing phenotypic assays that lead immediately from screening to target ... targeted therapeutics'. In forward chemogenomics, which is also known as classical chemogenomics, a particular phenotype is ...https://en.wikipedia.org/wiki/Chemogenomics
In vitro evaluation of functional interaction of integrin αvβ3 and matrix metalloprotease-2
Therapeutic strategies can be small molecule drugs, macromolecular drugs, prodrugs, or drug delivery systems, and the knowledge ... Matrix Metalloproteases: Underutilized Targets for Drug Delivery. J. Drug Target. 2007;15(1):1-20. [PubMed] ... Rgd-Based Strategies for Selective Delivery of Therapeutics and Imaging Agents to the Tumour Vasculature. Drug Resist. Updat. ... for designing prodrugs and delivery systems that require cleavage of MMP-2 substrate peptides for activating drug molecules ...http://pubmedcentralcanada.ca/pmcc/articles/PMC2790922/
Grand Challenges - Engineer Better Medicines
... key is to decipher rapidly the sequence of chemicals comprising the virus so that effective small RNA molecules can be designed ... For instance, researchers are exploring ways to engineer nanoparticles that are capable of delivering a drug to its target in ... How do you fight drug-resistant infections?. The war against infectious agents has produced a powerful arsenal of therapeutics ... In fact, understanding the development of resistance in viruses is especially critical for designing strategies to prevent ...http://www.engineeringchallenges.org/9129.aspx
About | DeGrado Lab | UCSF
We also interact closely with the Small Molecule Discovery Center (SMDC) to design and develop novel small molecules with ... We are studying several transmembrane proteins and designing new ones in hopes of adding to this small but growing body of ... Molecules that target protein structures critical to the pathogenesis of HIV and Alzheimer's disease ... de novo protein design in order to understand biological processes relevant to human disease and to develop novel therapeutics. ...https://pharm.ucsf.edu/degrado/about
Antibodies | Free Full-Text | Diving through Membranes: Molecular Cunning to Enforce the Endosomal Escape of Antibody-Targeted...
While numerous transport systems exist for ions and small molecules, the cytosolic uptake of larger biological molecules and in ... Inducing leakage of the plasma membrane is unfavorable since the target cell specificity mediated by the antibody would likely ... After binding and internalization, the antibody drug conjugates reach the endosomes. Thus, enforcing the endosomal escape of ... endosomal leakage inducing molecules such as saponins or monensin and physicochemical methods as represented by photochemical ...http://mdpi.com/2073-4468/2/2/209/htm
JoVE | Peer Reviewed Scientific Video Journal - Methods and Protocols
... where large libraries of small molecules are screened based on their ability to modulate therapeutic target function. Here we ... and drug delivery. Designing materials based on the molecular-scale interactions between these proteins will help generate new ... The reporter protein is designed so that its synthesis rate is constant whilst its degradation rate is determined by the degron ... been heavily analyzed as potential LC inhibitors based on their increased cellular permeability relative to larger therapeutics ...https://www.jove.com/visualize/abstract/19898607/usa1-protein-facilitates-substrate-ubiquitylation-through-two
Computational Resource for Drug Discovery - Wikipedia
... and siRNA/miRNA Drug design provides the resources important for designing drug inhibitors/molecules as lead optimization, ... drug target N-acetylglucosamine-1-phosphate uridyltransferase (GLMU) protein. This is a potential drug target involved in ... ToxiPred: A server for prediction of aqueous toxicity of small chemical molecules in T. pyriformis. KetoDrug:A web server for ... developed for researchers working in the field of protein/peptide therapeutics. At present there is no single platform that ...https://en.wikipedia.org/wiki/Computational_Resource_for_Drug_Discovery