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Rong Cao
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Aerospace Engineering Agriculture, Biological Sciences & Forestry Astronomy Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Control & Systems Engineering Earth & Planetary Sciences Electrical & Electronics Engineering Energy Engineering Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Physics

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Screening of Flavonoid Derivatives as Candidate Inhibitors For nsP2 Protease of Chikungunya Virus Using Molecular Docking Faqih, Khoirul; Rong Cao; Saeed Ahmad
Frontier Advances in Applied Science and Engineering Vol. 2 No. 1 (2024)
Publisher : Tinta Emas Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59535/faase.v2i1.179

Abstract

This study focuses on the potential inhibition of nsP2 protease of chikungunya virus by flavonoid-derived compounds. Non-structural proteins, particularly the nsP2 protease, have an important role in chikungunya virus replication. Flavonoid-derived compounds were chosen as candidate inhibitors because they have previously been shown to be effective against other viruses such as influenza, herpes, and dengue fever. This study used molecular docking method to test six flavonoid groups, and four of them, namely hesperidin, rhoifolin, myricetin, and genistin, showed promising binding affinity. The molecular visualization results showed the occurrence of hydrophobic interactions and hydrogen bond formation. Hesperidin, as a flavanone, stood out as the most potential candidate with a binding affinity value of -9.4 kcal/mol. This study has implications for the development of potential inhibitors to inhibit chikungunya virus replication.
Synthesis and Characterization of Complex Compounds of Cadmium (II) Nitrate, Potassium Thiocyanate, and 2,2-Bipyridine Ligand Faqih, Khoirul; Rong Cao; Saeed Ahmad; Muntholib, Muntholib
Frontier Advances in Applied Science and Engineering Vol. 1 No. 2 (2023)
Publisher : Tinta Emas Publisher

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59535/faase.v1i2.181

Abstract

A complex compound of a central atom of cadmium(II), potassium thiocyanate, and a 2,2'-bipy ligand with a stoichiometric ratio of 1:2:2 has never been reported. The aim of this research is to determine the coordination pattern of the 2,2'-bipy ligand and thiocyanate ion and the stability of the compounds formed. Synthesis of complex compounds was carried out using the direct reaction method, characterization of the complex compounds produced using the melting point test, FTIR analysis, SEM-EDX analysis, DHL test, thiocyanate ion qualitative test, and Gaussian 09W analysis. This synthesis produces a block-shaped colorless complex compound with a melting point of 159-161°C and has a distorted tetrahedral geometry around the central cadmium(II) atom and a free energy of -740 kJ/mol and a free energy per bond of -25 kJ/ mol.
Co-Authors Faqih, Khoirul Muntholib Saeed Ahmad