Presentation number: MG 26
ANTIVIRAL POTENTIAL OF TRADITIONAL INDIAN HERBAL MEDICINE AGAINST SARS-COV-2: AN IN SILICO STUDY
Belmina Saric, Nikolina Tomic, Naida Lojo-Kadric, Jasmin Ramic, Lejla Pojskic
University of Sarajevo, Institute for Genetic Engineering and Biotechnology, Laboratory for Human Genetics, Sarajevo, Bosnia and Herzegovina
Indian Traditional System of Medicine (ITSM) is one of the oldest traditional medicine systems classified into five different traditional approaches named Ayurveda, Yoga, Unani, Siddha, and Homoeopathy. Number of studies showed that people rely on traditional medicine as a support against SARS-CoV-2 and other respiratory viruses. The antiviral potential of herbal preparations is proven experimentally and explained by its competitive binding affinity and inhibition of viral attachment and replication. Main protease of SARS-CoV-2 (Mpro) (PDB ID: 6Y84) that is responsible for virus replication and gene expression is a drug target for many antiviral drugs. We analysed binding affinity of selected compounds that are extracted from plants used in ITSM, to Mpro using in silico tool AutoDock Vina 1.1.2. Selected compounds were acanthoside, acetovanillone, apigenin, astragalin, cucurbitacin B, curcumin, kaempferol, luteolin-7-rutinoside, malic acid, marmin, myricetin, myrtenol, pektolinarin, quercetin, rutin, somniferone, syrigaresinol, and violanthin. Acetoside and remdesivir were used as positive controls of binding affinity for Mpro. Results highest affinities (rmsd l.b. 0.000; rmsd u.b. 0.000) were observed for somniferone (-11.2), then for luteolin (-11.0), rutin (-10.3), violanthin (-10.2), and cucurbitacin B (-10.0), all expressed in kcal/mol. After visualization via PyMOL 2.4., cucurbitacin B, luteolin, somniferone and positive control remdesivir had similar binding interaction of SARS-CoV-2 main protease (Mpro) close to position of Lys5, residue that is one of the previously explored regulatory sites for various molecular interactions. Our findings suggest that selected compounds of Indian herbal medicines represent potential inhibitors against SARS-CoV-2 Mpro, but further investigation of the mechanisms of action as well as the potential side effects are needed for final confirmation of inhibitory functionality of these compounds.
Key words: molecular docking, SARS-CoV-2, Indian Traditional System of Medicine, main protease
Presentation number: MG 27
RT PCR AND GALACTOMANNAN FROM BAL AND BLOOD SAMPLES IN DIAGNOSING INVASIVE ASPERGILLOSIS
Amalija Lukić, Sanja Pleško
University Hospital Centre Zagreb, Zagreb, Croatia
Invasive aspergillosis (IA) is most frequent mould infection with high mortality in the immunocompromised patients. Spores of Aspergillus can be inhaled and can cause infection in immunosuppressed patients. Risk of IA correlates with duration and severity of neutropenia. Mycological cultures are positive for Aspergillus spp. in at most 26% of the invasive aspergillosis cases. Due to low sensitivity of the mycological cultures are diagnosed indirectly by the detection of galactomannan (GM) from blood samples or bronchoalveolar lavage (BAL). The aim of this study was to compare results obtained from BAL and blood samples routinely tested on GM with results obtained with PCR from same samples. The medical ethics committee of University Hospital Centre Zagreb approved the study. In this study 23 samples from hospitalized patients previously tested for GM (Platella Aspergillus Ag, Bio-Rad, France) and stored on -20oC were tested with AsperGeniuSpecies multiplex real-time PCR assay (PathoNostics, Maastricht, The Netherlands) on Rotor Gene Q. 12 previously tested blood samples (6 positive and 6 negative) and 11 bronchoalveolar fluids previously tested on galactomannan were tested with Aspergillus RT PCR. The optimal cycle threshold cut-off value for the Aspergillus species PCR was <38. Among 6 GM positive blood samples previously tested, 2 of them where positive also on RT-PCR for Aspergillus spp. and the rest of them were negative. Very interesting one of the blood samples positive on GM with high values (3,39 ODI) was negative on Aspergillus PCR and that high values are usually connected with poor prognosis for neutropenic patients. 11 Bal samples previously tested on GM where enrolled in the study with ODI bellow 1 (1 is cut-off for GM from BAL) where tested with Aspergillus PCR. Two of them with GM ODI 0,1 and 0,6 where positive on Aspergillus RT PCR with Ct values 25,75 and 26,15, respectively. Combination of GM testing and RT-PCR for Aspergillus spp. could enhance specificity and sensitivity of the mycological diagnostics and help in introducing early and appropriate therapy in order to improve the outcome of the patients.
Key words: Invasive Aspergillosis, galactomannan, RT PCR, molecular biology