Project Title

Bee Venom Peptides Targeting the Main Protease of SARS-CoV-2

Academic department under which the project should be listed

CSM - Chemistry and Biochemistry

Faculty Sponsor Name

Mohammad A. Halim

Abstract (300 words maximum)

Honeybee venom contains various antimicrobial peptides (AMPS), which can be used as therapeutics. These peptides can fight against bacteria and virus faster, and not contain drug resistance, making it more beneficial. Bee venom contains anti-inflammatory properties, can elevate antibodies, and attach to antigens, which may work against viruses such as SARS-CoV-2. The virus is a positive-sense single-stranded RNA virus, which can translate 16 non-structural, 4 structural and 9 accessory proteins. This virus is ranked as deadly, due to the structure and nature of the virus. The virus is able to multiply up to high levels without any recognition from the immune system, this is why people can be asymptomatic or be infected yet show no symptoms for days and even weeks. The main protease of SARS-CoV-2 is an enzyme that breaks down proteins and assists the viral replication. That's why the main protease of SARS-CoV-2 can also be targeted for therapeutic purposes. Peptide inhibitors are used in antiviral medications because they block the progression and replication of the virus. In this study, we have modelled bee venom peptides using computational chemistry approach and assessed their binding affinity and interactions with the main protease of SARS-CoV-2. Our docking results showed that Melittin has the highest global binding energy of -61.69 kcal/mol compared to various analogues. In addition, one analogue HYL-19 showed relatively higher binding affinity of -59.94 kcal/mol. Melittin, and these analogues also strongly interacted with the catalytic amino acids including Cys145 and His41. These peptides are synthesized and will be tested by main protease assay and mass spectrometry.

Disciplines

Biochemistry | Computational Chemistry | Medicinal-Pharmaceutical Chemistry

Project Type

Poster

How will this be presented?

Yes, in person

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Bee Venom Peptides Targeting the Main Protease of SARS-CoV-2

Honeybee venom contains various antimicrobial peptides (AMPS), which can be used as therapeutics. These peptides can fight against bacteria and virus faster, and not contain drug resistance, making it more beneficial. Bee venom contains anti-inflammatory properties, can elevate antibodies, and attach to antigens, which may work against viruses such as SARS-CoV-2. The virus is a positive-sense single-stranded RNA virus, which can translate 16 non-structural, 4 structural and 9 accessory proteins. This virus is ranked as deadly, due to the structure and nature of the virus. The virus is able to multiply up to high levels without any recognition from the immune system, this is why people can be asymptomatic or be infected yet show no symptoms for days and even weeks. The main protease of SARS-CoV-2 is an enzyme that breaks down proteins and assists the viral replication. That's why the main protease of SARS-CoV-2 can also be targeted for therapeutic purposes. Peptide inhibitors are used in antiviral medications because they block the progression and replication of the virus. In this study, we have modelled bee venom peptides using computational chemistry approach and assessed their binding affinity and interactions with the main protease of SARS-CoV-2. Our docking results showed that Melittin has the highest global binding energy of -61.69 kcal/mol compared to various analogues. In addition, one analogue HYL-19 showed relatively higher binding affinity of -59.94 kcal/mol. Melittin, and these analogues also strongly interacted with the catalytic amino acids including Cys145 and His41. These peptides are synthesized and will be tested by main protease assay and mass spectrometry.

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