Screening of mutational plant phytochemical against HIV-1 reverse transcriptase molecular docking and simulation

Project Title

Screening of mutational plant phytochemical against HIV-1 reverse transcriptase molecular docking and simulation

Project Area of Specialization Artificial IntelligenceProject Summary

Acquired immunodeficiency syndrome (AIDS) is a viral disease caused by human immunodeficiency virus type 1 (HIV-1). According to WHO More than 36.9 million people were infected with HIV in 2014. HIV Infection can lead to progressive destruction of CD4+ T lymphocytes and inevitable defect of the immune system. The essential components of antiretroviral therapy are non-nucleoside and nucleoside reverse transcriptase (RT) inhibitors (NNRTIs and NRTIs), HIV protease inhibitors, CCR5 antagonists, integrase strand transfer inhibitors (INSTIs) and fusion inhibitors. The human immunodeficiency virus type 1 (HIV-1) reverse transcriptase (RT) is a very critical target enzyme for drug development. HIV-1 RT catalyzes production of double-stranded proviral DNA (dsDNA) using single-stranded viral RNA (ssRNA) as template. A fundamental clinical problem for the treatment of virus-infected individuals is antiviral drug resistance. The expansion of mutations in patients receiving different therapies has resulted in resistant viruses being more disseminated within the HIV infected population.We planed to inhibit Reverse transcriptase, Integrase polymerase for the inhibition of HIV-1 using different relevent bioinformatics tools (online and offline).

Project Objectives

The following are the objectives of our project

1. inhibition of Reverse Transcriptase 

2. inhibition of Polymerase

3. Inhibition of integrase

4. the drugs will be further utilized for laboratory and clinical trials

Project Implementation Method

Development o f best docked phytochemical for the further analysis in laboratory and clinincs.

Benefits of the Project

The benefits of the projects are:

1. we wiil get drugs having less harm to human health

2. The soceity will have less chance of affected HIV individuals.

Technical Details of Final Deliverable

1. Proteins: these are basics target against which drugs will be devoped

2. Drugs designed: these dsigned drugs will be checked for the laboratory trials 

Final Deliverable of the Project HW/SW integrated systemType of Industry Medical Technologies OthersSustainable Development Goals Good Health and Well-Being for PeopleRequired Resources

Item Name	Type	No. of Units	Per Unit Cost (in Rs)	Total (in Rs)
			Total in (Rs)	80000
PyRx	Equipment	1	45500	45500
TeraByte Device	Equipment	1	8000	8000
Internet Facility	Equipment	5	1500	7500
Paper RIm	Miscellaneous	10	800	8000
Stationery	Miscellaneous	10	100	1000
USB	Miscellaneous	2	500	1000
Simulation Fee	Equipment	3	3000	9000