Drug Design of Medicinal Plants as a Treatment of Omicron Variant (Covid-19 Variant B.1.1.529)

Abstract

The aim of this work was identifying the physico-chemical properties of some medicinal plants which are applied in front of the Omicron Variant symptoms. In this paper, seven medicinal ingredients for the most frequently symptoms of Omicron disease containing cough, sore throat, fever, shortbreath, anorexia, muscle-joint pain, headache and Nausea-vomiting related to the fidelity level index has been run. In fact, coronaviruses (CoVs) is able to infect people and multiple types of animals through enteric, respiratory, and central nervous system maladied with considerable agents for designing anti-Omicron conjunction. In this investigation, it has been discussed the compounds of thymol, gingerol, salvinorina A, cynnamil, curcumin, pulegone and rosmarinic acid as a probable anti pandemic Omicron receptor derived from medicinal plants and herbs of thyme, ginger, salvia divinorum, cinnamon leaves, curcuma longa (turmeric), mentha pulegium (pennyroyal) and rosemary, respectively.Anti-Omicron through the H-bonding employing the physical and chemical characteristics containing heat of formation, Gibbs free energy, electronic energy, charge distribution of active parts in the hydrogen bonding, NMR estimation of medicinal ingredients jointed to the database amino acids fragment of Tyr-Met-His as the selective zone of the Omicron, positive frequency and intensity of different normal modes of these structures have been measured. On the other hand, the simulated computations were accomplished at different steps of theory to get the more real equilibrium geometrical coordination, and IR spectral data for each of the complex proposed drugs of N-terminal or O-terminal auto-cleavage substrate were individually identified to represent the structural flexibility and substrate binding of these natural plants embedded to active site of Omicron molecule. Finally, a comparison of these structures with two configurations prepares new outlooks for modeling the substrate-based anti-targeting Omicron. This issue exhibits a feasible model for simulating a wide-spectrum of anti-Omicron medications. The structurebased optimization of these molecules has resulted two more efficacious lead materials, nitrogen and oxygen elements through producing the hydrogen bonding (Hbonding) with a rich anti-Omicron Variant .

Determination of SWCNT biosensor for bisphosphonate–2X(X = Mg2+, Ca2+, Sr2+) delivery in bone cell through electromagnetic and thermodynamic analysis using QM/MC methods

“…Drug delivery technique is able to change a drug's pharmacokinetics and specificity by formulating it with various ingredients, drug carriers and medical equipment. This notable characteristic is the basis for the employment of these structures as skeletal markers in nuclear medicine and the foundation for their selective localization in bone when used as drugs (Tiwari et al, 2012;Li et al, 2017;Tekade, 2018;Allen, 2004;Singh et al, 2019;Shahriari et al, 2022;Tahan et al, 2009;Bakhshi et al, 2011;Khalili Hadad et al, 2022). Nanomedicine covers a wide range of therapeutic applications, from nanoparticulate drug delivery systems including carbon nanotubes (CNTs), layered double hydroxides, to in vitro (biosensor) and in vivo (imaging and implantable devices) diagnostics (Mohsin et al, 2014;Mollaamin et al, 2022;Barahuie et al, 2013;Kura et al, 2013;Mollaamin, 2023;Cao et al, 2013).…”

“…This notable characteristic is the basis for the employment of these structures as skeletal markers in nuclear medicine and the foundation for their selective localization in bone when used as drugs (Tiwari et al , 2012; Li et al , 2017; Tekade, 2018; Allen, 2004; Singh et al , 2019; Shahriari et al , 2022; Tahan et al , 2009; Bakhshi et al , 2011; Monajjemi et al , 2010; Khalili Hadad et al , 2022). Nanomedicine covers a wide range of therapeutic applications, from nanoparticulate drug delivery systems including carbon nanotubes (CNTs), layered double hydroxides, to in vitro (biosensor) and in vivo (imaging and implantable devices) diagnostics (Mohsin et al , 2014; Mollaamin et al , 2022; Barahuie et al , 2013; Kura et al , 2013; Mollaamin, 2023; Cao et al , 2013). Nanomedicine in drug delivery is for achieving the improved delivery of water insoluble drugs, delivery of large macromolecule drugs to intracellular sites of action and codelivery of two or more drugs or therapeutic agents for combination remedy (Ghaffarian et al , 2012; Mollaamin and Monajjemi, 2023; Zhang et al , 2011).…”

“…Nanomedicine in drug delivery is for achieving the improved delivery of water insoluble drugs, delivery of large macromolecule drugs to intracellular sites of action and codelivery of two or more drugs or therapeutic agents for combination remedy (Ghaffarian et al , 2012; Mollaamin and Monajjemi, 2023; Zhang et al , 2011). Since the exploring CNTs in 1990s and the progress of their application in nanomedicine, these compounds are significant through their properties including rich electronic and thermal factors, great mechanical strength, high chemical stability and extremely light weight (Bethune et al , 1993; Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Dai, 2002; Abi et al , 2013; Feng and Ji, 2011; Chen et al , 2011). CNTs can easily penetrate cells, delivering drugs directly to the cytoplasm or nucleus (Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Khaleghian et al , 2011; Monajjemi et al , 2010; Mollaamin et al , 2011; Mollaamin, 2022).…”

“…Since the exploring CNTs in 1990s and the progress of their application in nanomedicine, these compounds are significant through their properties including rich electronic and thermal factors, great mechanical strength, high chemical stability and extremely light weight (Bethune et al , 1993; Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Dai, 2002; Abi et al , 2013; Feng and Ji, 2011; Chen et al , 2011). CNTs can easily penetrate cells, delivering drugs directly to the cytoplasm or nucleus (Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Khaleghian et al , 2011; Monajjemi et al , 2010; Mollaamin et al , 2011; Mollaamin, 2022). Functionalized CNTs are easily internalized by cells through passive and endocytosis-independent mechanisms (Sapino et al , 2021; Park et al , 2021; Gao and Zhang, 2022; Chindamo et al , 2020; Salamanna et al , 2021; Choi et al , 2021; Monajjemi, 2015; Mahdavian and Monajjemi, 2010; Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Sarasia et al , 2011; Monajjemi, 2017; Mollaamin et al , 2015).…”

“…CNTs can easily penetrate cells, delivering drugs directly to the cytoplasm or nucleus (Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Khaleghian et al , 2011; Monajjemi et al , 2010; Mollaamin et al , 2011; Mollaamin, 2022). Functionalized CNTs are easily internalized by cells through passive and endocytosis-independent mechanisms (Sapino et al , 2021; Park et al , 2021; Gao and Zhang, 2022; Chindamo et al , 2020; Salamanna et al , 2021; Choi et al , 2021; Monajjemi, 2015; Mahdavian and Monajjemi, 2010; Mollaamin et al , 2023a, 2023b, 2023c, 2023d, 2023e; Sarasia et al , 2011; Monajjemi, 2017; Mollaamin et al , 2015). The bisphosphonates behave by reducing osteoclast activity and then reducing the overturn of bone or replacement of the old bone cell.…”