Structural implications of SARS-CoV-2 Surface Glycoprotein N501Y mutation within receptor-binding domain [499-505]–computational analysis of the most frequent Asn501 polar uncharged amino acid mutations

The aim of this study was to evaluate the impact of the most frequent Asn501 polar uncharged amino acid mutations upon important structural properties of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) Surface Glycoprotein RBD–hACE2 (human angiotensin-converting enzyme 2) heterodimer. Mutations N501Y, N501T and N501S were considered and their impact upon complex solubility, secondary motifs formation and intermolecular hydrogen bonding interface was analyzed. Results and findings are reported based on 50 ns run in Gromacs molecular dynamics simulation software. Special attention is paid on the biomechanical shifts in the receptor-binding domain (RBD) [499-505]: ProThrAsn(Tyr)GlyValGlyTyr, having substituted Asparagine to Tyrosine at position 501. The main findings indicate that the N501S mutation increases SARS-CoV-2 S-protein RBD–hACE2 solubility over N501T, N501 (wild type): (Formula presented.), (Formula presented.). The N501Y mutation shifts (Formula presented.) -helix S-protein RBD [366-370]: SerValLeuTyrAsn into π-helix for t > 38.5 ns. An S-protein RBD [503-505]: ValGlyTyr shift from (Formula presented.) -helix into a turn is observed due to the N501Y mutation in t > 33 ns. An empirical proof for the presence of a Y501-binding pocket, based on RBD [499-505]: PTYGVGY (Formula presented.) 's RMSF peak formation is presented. There is enhanced electrostatic interaction between Tyr505 (RBD) phenolic -OH group and Glu37 (hACE2) side chain oxygen atoms due to the N501Y mutation. The N501Y mutation shifts the (Formula presented.) hydrogen bond into permanent polar contact;(Formula presented.);(Formula presented.). © 2023 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.

Impact of the economic crisis on the apple production price in the republic of North Macedonia

Apple production has the greatest significance among all types of fruit crops in Macedonia, sharing 56% of the total fruit production. Due to the economic crisis caused by Covid-19 and the war in Ukraine, the prices of agricultural inputs have increased greatly. To that end, the main goal of this paper is to evaluate the impact of the global economic crisis on the apple production price. The production costs calculation is based on calculation of variable and fixed costs of apple production for 2020 and 2021 as reference years and 2022 as the year when the production price change is considered. Data for the normative calculation and production price for 2020 and 2021 are obtained based on the expert knowledge and confirmed with the semi-structured interview with 3 farmers and 2 apple producing companies. Based on this normative calculation and market prices for inputs in 2020, 2021 and 2022 collected from the 10 input suppliers, AMIS and SSO, the apple production price is calculated. The results show that the economic crisis has a large negative economic impact on apple production, as the estimated full production price of apples in 2022 ha increased by 37% compared with that of 2020 & 2021.