Introduction: Nowadays, organic waste utilization and replacement of fossil energy sources with their renewable alternatives pose a challenging problem both for industrially developed and developing countries. Anaerobic digestion of organic biomass into biogas is considered an efficient technology for bioenergy production. Over the period from 2009 to 2018, the global biogas production capacities have more than doubled and are continuing to grow. The composition and the amount of biogas depend strongly on the type of the substrate. Various types of feedstock can be used for the production of biogas such as animal wastes, agricultural residues, and dedicated energy crops. Objective: To review biogas production potentials of energy crops and plant processing raw materials. Results: In the background of historical development and present state, the paper reviews the potential of different plant raw materials to be utilized for biogas production purposes. The potential of energy crops, agricultural residues, and wastes for biogas production is analyzed. International projects concerning energy crops grown on marginal lands are presented and commented on in the article. The approach of implementing crop rotation systems for industrial energy crop cultivation is described and recommended as beneficial for various purposes. The anaerobic degradability of biomass constituents, optimal process parameters, and biomass treatment for biogas production are discussed. C/N ration and lignocelluloses content in the substrate are considered among the most decisive parameters for AD and methane production. Various concepts of biogas bioreactor technologies have been studied depending on the substrate type. Conclusion: Plant feedstock may play a decisive role in biogas production as a renewable energy source. To avoid GHG release into the atmosphere, biogas facilities should be built within the closest vicinities to the places of existing garbage dumps, and waste management practice involving organic fraction separation in households and in the industry should be applied. Construction of biogas facilities is beneficial for environmental, economic, and social reasons.

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Aim. Computational prediction of amino acid residues critical for specific binding of nitro- and dinitroaniline compounds in plant α-tubulin. Methods. Protein structure modeling (I-Tasser, Grid-computing) and ligand library preparation, molecular docking (CCDC Gold), molecular dynamics (MD, Gromacs computing in Grid). Evaluation of the amino acid ensemble associated with ligand binding based on results of MD energy perturbations of protein-ligand complex. Results. The structural model of plant α-tubulin from Avena sativa was build. Also, the virtual library of 25 nitroaniline compounds was prepared. The docking of ligands into the interdimer contact of α-tubulin and MD simulations of the leading complexes reveal differences in ligands conformational energy during the exchange between free and binding states. The mean number of hydrogen bonds and dynamics of their formation in complex were compared. These computations allow us to select a.a. residues playing key role in specific interaction with nitro- and dinitroaniline compounds in plant α-tubulin. Conclusions. Computational prediction specify 28 a.a. residues playing the main role in binding of nitro- and dinitroaniline compounds with plant α-tubulin from Avena sativa: Arg2, Glu3, Ile4, Cys129, Thr130, Gly131, Leu132, Gln133, Gly134, Gly162, Lys163, Lys164, Ser165, Leu242, Arg243, Asp245, Gly246, Ala247, Ile248, Asn249, Val250, Asp251,Val252, Thr253, Glu254, Phe255, Thr257, Asn258. Keywords: plant, α-tubulin, nitroaniline compounds, molecular docking, molecular dynamics, ligand binding.

Aim. Identification of amino acid residues participating in specific binding of dinitroaniline and phosphorothioamidate compounds with α-tubulin in Plasmodium falciparum. Methods. Protein structure modelling, protein structure optimization using molecular dynamics method, ligand-protein docking, alanine scanning mutagenesis. Results. Molecular docking of canonical compounds and alanine scanning mutagenesis, indicate two key (Arg2, Val250) and one minor (Glu3) residues involved in binding of both - dinitroaniline and phosphorothioamidate compounds. At the same time, it was revealed two minor residues (Asp251, Glu254) interacting only with some members of dinitroaniline grope. Conclusions. It was identified amino acid residues predetermining existence of joint site and similar interaction of α-tubulin with dinitroani-line and phosphorothioamidate compounds in P. falciparum. Keywords: malaria, Plasmodium, α-tubulin, molecular interaction, dinitroanilines compounds, phosphorothioamidate compounds, alanine scanning mutagenesis.

Aim. To select new tubulin-targeted inhibitors of plant fungal pathogens based on results of high-throughput virtual screening in Grid. Methods. Protein and ligand spatial structure modelling (I-Tasser, Grid), design and virtual screening ligands library (UCSF Dock 6, Grid), molecular docking (CCDC Gold), molecular dynamics simulation (Gromacs, Grid). Results. 240 structural models of tubulin molecules (82 α-, 111 β- and 47 γ-tubulin) from 62 species of phytopathogenic fungi were constructed. It was found that imidazole ligands, demonstrate strongest affinity to α- and β-tubulin. It was found that among α-, β- and γ-tubulin, taxol binding site of β-tubulin possess the strongest potential as the fungicidal drugs target. It was selected 50 leader compounds: 23 with affinity for GTP/GDF-exchange site and 27 with affinity for taxol-binding site. Conclusions. It was found, that in phytopathogenic fungi, taxol binding site of β-tubulin are the main fungicid drug target (in compare to other tubulin site or isotype). The highest affinity was predicted for the compounds F0478-0219, F0478-0166 and β-tubulin from Puccinia graminis f. sp. Tritici, as well as for the compound F0478-0385 and β-tubulin from Magnaporthe oryzae. Keywords: pathogenic fungi, fungicides, tubulin, virtual screening, Grid.