Announcements


20160901

posted 5 May 2017, 12:09 by Gradient Biomodeling   [ updated 5 May 2017, 12:51 ]

September 1, 2016

Quantum Model Repurposing of Cetromycin for Liver Stage Malaria

As part of FOA Pre-clinical Research Based on Existing Repurposing Tools (R21), Exploratory/Developmental Research Grant was awarded to demonstrate the utility of Gradient's quantum computational algorithm to predict new uses of Cethromycin. The project is part of the collaboration between Gradient and Johns Hopkins Bloomberg School of Public Health, and the experimental work will be performed in the laboratory of Dr. David Sullivan.

Project Narrative:
Cethromycin was identified by a published quantum model computational analysis for liver- stage malaria drugs. This cethromycin preclinical mouse malaria liver-stage work will build a more solid evidence base for a phase 2, controlled human malaria infection clinical trial. The long-term outcome will be a new safe, effective malaria prophylaxis drug and/or a replacement of primaquine for the dormant liver-stage of P. vivax/ovale.

Link to the FOA

Link to NIH RePORT

20161022

posted 8 Mar 2017, 12:29 by Gradient Biomodeling   [ updated 8 Mar 2017, 12:29 ]

October 22, 2016

Ergot Derivative Compound and Its Use in African Sleeping Sickness and Related
Disease

Provisional patent application No. 62/411404 was filed on October 21, 2016.

20160902

posted 8 Mar 2017, 12:11 by Gradient Biomodeling   [ updated 5 May 2017, 12:50 ]

September 2, 2016

Discovery of New Chemical Entities for Alzheimer's Disease Tauopathy

The project is supported by a Phase I SBIR grant award from the National Institute on Aging (1R43AG053137-01A1). Experimental work will be subcontracted to the laboratory of Dr. Kuret at Ohio State University.

Project Narrative:
Alzheimer’s disease is the most prevalent dementing illness of the elderly. It is defined in part by the appearance of cellular lesions composed of aggregates of the microtubule-associated protein tau. This project seeks to identify novel tau aggregation inhibitors as potentially disease modifying therapeutics for AD.

Link to NIH RePORT

20150507

posted 21 May 2015, 12:43 by Gradient Biomodeling   [ updated 21 May 2015, 12:49 ]

May 07, 2015

Discovery of Novel Liver-Stage Antimalarials through Quantum Similarity

The research was performed in a collaboration with Dr. David Sullivan, Johns Hopkins Bloomberg School of Public Health, and was supported by the Bill & Melinda Gates Foundation.

One of the newly identified compounds, cethromycin, is a drug with an extensive safety profile warranting its exploitation as a new weapon for the current effort of malaria eradication.

20140901

posted 22 Feb 2015, 11:55 by Gradient Biomodeling   [ updated 8 Mar 2017, 12:32 ]

September 1, 2014

Macrolide Compounds and Their Use in Liver Stage Malaria and Related Disease

Provisional patent application  No. 62/411404 was filed on 25 August 2014.

20140502

posted 12 Jul 2014, 07:35 by Gradient Biomodeling   [ updated 5 May 2017, 12:48 ]

May 2, 2014

A Quantum Similarity Approach for the Discovery of Anti-Trypanosome Drug Leads

The project is supported by a Phase I SBIR grant award from the National Institute of Allergies and Infectious Diseases (1R43AI114078-01).
The experimental work will be subcontracted to the laboratory of Dr. Kojo Mensa-Wilmot at the University of Georgia.

Project Narrative:
Human African trypanosomiasis (HAT) or 'sleeping sickness' is a neglected tropical disease caused by the parasite Trypanosoma brucei. Here, we propose to apply a quantum-similarity approach to discover novel inhibitors of T. Brucei. Quantum similarity takes modeling of bio-molecular interactions a step further and uses first principles of quantum theory alone to describe the whole system rather than just the central part. This allows for simultaneous interrogation of multiple targets and pathways, and incorporation of various pharmacological requirements early in the drug discovery process, thus increasing the chances of finding novel therapeutics to reduce CNS invasion and ameliorate immune mediated pathology in this parasitic CNS infection.


20130902

posted 13 Sep 2013, 07:24 by Gradient Biomodeling   [ updated 5 May 2017, 12:47 ]

September 2, 2013

Discovery of Novel Antipsychotics through Quantum Similarity

The project is supported by a Phase I SBIR grant award from the National Institute of Mental Health (1R43MH101892-01). 
The experimental work will be subcontracted to the laboratory of Dr. Andrea Giuffrida, at the University of Texas Health Science Center at San Antonio.

Project Narrative:
Schizophrenia is a complex psychiatric disorder with a heterogeneous clinical phenotype. It is one of the most costly psychiatric illnesses, not only in terms of direct cost but also as a result of its long-term impact and loss of productivity, requirig intensive medical psychiatric care as well as the indefinite need for social and economic support. Here, we propose to apply a quantum-similarity approach to discover novel modulators (inhibitors) of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL), aiming to elevate endocannabinoid tone to relieve the negative symptoms of schizophrenia.


20130101

posted 13 Sep 2013, 06:47 by Gradient Biomodeling   [ updated 13 Sep 2013, 07:03 ]

January 7, 2013

Development of Small Molecules for Use in Diagnostic Devices to Measure Plasma Renin Activity 

The project is funded by the EU Fund for Regional Development and being executed in Bulgaria.


20121101

posted 2 Nov 2012, 14:15 by Gradient Biomodeling   [ updated 5 May 2017, 12:45 ]

November 1, 2012
A Quantum Physics Search for Liver-Stage Antimalarials

The project is a collaboration with Dr. David Sullivan of the Johns Hopkins Bloomberg School of Public Health and sponsored by the Grand Challenges in Global Health initiative of the Gates Foundation.

Project Idea:
Apply an innovative in silico quantum physics approach, successfully used for discovery of novel compounds with blood stage antimalarial activity, to the liver stage for identification of new classes of therapeutic molecules amongst existing publicly available commercial drug and compound databases.


20121024

posted 2 Nov 2012, 13:53 by Gradient Biomodeling   [ updated 17 Oct 2014, 01:59 ]

October 24, 2012
Identification of Novel Nrf2 Activators by Quantum Modeling, Experimental Evaluation for Parkinson's Disease and NCE Design
 
Gradient, in collaboration with Dr. Jeffrey A. Johnson from University of Wisconsin, presented its MJFF-sponsored research at 6th Annual Parkinson's Disease Therapeutics Conference.


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