Notes on Indian wolf spiders: IV. Transfer of species previously included in the genera Crocodilosa Caporiacco, 1947 and Geolycosa Montgomery, 1904 (Araneae: Lycosidae)

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  Notes on Indian wolf spiders: IV. Transfer of species previously included in the genera Crocodilosa Caporiacco, 1947 and Geolycosa Montgomery, 1904 (Araneae: Lycosidae) The enigmatic Crocodilosa Caporiacco, 1947 sensu lato currently consists of five nominal species distributed in Africa and Asia (World Spider Catalog 2026). It was established for C. kittenbergeri Caporiacco, 1947, with a superficial generic diagnosis relying only on somatic features such as length of eye rows, leg spination and relative leg lengths (Caporiacco 1947). Roewer (1955), following Caporiacco’s (1947) generic diagnosis, drastically increased the number of Crocodilosa species by transferring several species from other lycosid genera, but most of these subsequently added species were later reassigned to their appropriate genera (World Spider Catalog 2026), highlighting the need for a re-examination of the type species and remaining congeners to clarify the validity of Crocodilosa. At present, the genus ha...

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.