First chance to see: New jumping-spider species from Batanta, Indonesia (Araneae, Salticidae, Euophryini)

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  First chance to see: New jumping-spider species from Batanta, Indonesia (Araneae, Salticidae, Euophryini) Abstract The first spider records of Batanta, Birie, and Arefi islands, Raja Ampat, Indonesia are presented in this study. Three new species in the genus Canama Simon, 1903, Canama horobi sp. nov . (male), Canama limagigi sp. nov . (male) and Canama wanita sp. nov . (female) are described. Two Indonesian salticids, originally placed in Bathippus Thorell, 1892 and known from their original descriptions only, Bathippus dentiferellus Strand, 1911 and Bathippus seltuttensis Strand, 1911, are redescribed and illustrated. Due to their morphological similarity to the type species, three new combinations have been proposed: Canama dentiferellus (Strand, 1911), comb. nov ., Canama seltuttensis (Strand, 1911), comb. nov . and Canama dilanians (Thorell, 1881), comb. nov . To confirm the phylogenetic placement of the new species, we carried out a small phylogenetic anal...

Understanding the Electronic Structure of the Alkaloid in Scorpion Venom (ASV) Through Drug Adsorption and Molecular Docking Studies on COVID-19 Proteins

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Understanding the Electronic Structure of the Alkaloid in Scorpion Venom (ASV) Through Drug Adsorption and Molecular Docking Studies on COVID-19 Proteins


Abstract

Electronic structure analysis of the alkaloid from scorpion venom (ASV) was studied at the B3LYP/6-311++G (d, p) level of theory. Vibrational analysis, molecular orbital analysis and the MEP and contour plot analysis show the reactivity and molecular stability of the compound. The measured frontier molecular orbital energy distance (ELUMO-EHOMO) is 4.12 eV. The reactive descriptors research found that the ASV molecule has a chemical hardness of 2.205 eV and an electronegativity of 3.325 eV, consistent with its biological activity. The calculated NLA parameters μo, αo, and β° values of the title molecule are 1.5009 Debye, -5.718 × 10-24 e.s.u, 2.984 × 10-30 e.s.u, respectively. The alkaloid from scorpion venom is found to form stable complexes with cyclodextrin.

Anbumani Velmurugan Ilavarasi, Francisxavier Paularokiadoss, L. Mary Novena, T. Pooventhiran, Sultan Erkan, Christian A. Celaya, Renjith Thomas, Dinakara Rao Ampasala, Thayalaraj Christopher Jeyakumar, Understanding the Electronic Structure of the Alkaloid in Scorpion Venom (ASV) Through Drug Adsorption and Molecular Docking Studies on COVID-19 Proteins, Chemical Physics Impact, 2023, 100289, ISSN 2667-0224,
https://doi.org/10.1016/j.chphi.2023.100289.