@article { ISI:000360934800003,
	title = {Role of chemical reactivity and transition state modeling for virtual screening},
	journal = {Combinatorial Chemistry \& High Throughput Screening},
	volume = {18},
	number = {7},
	year = {2015},
	month = {JAN},
	pages = {638-657},
	publisher = {BENTHAM SCIENCE PUBL LTD},
	address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES},
	abstract = {<p>Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product-like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75\% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening.</p>},
	keywords = {fingerprints, intermediates, metabolic pathways, product-like score, reactant-like score, reaction, screening, synthesis, virtual screening},
	issn = {1386-2073},
	doi = {10.2174/1386207318666150703113135},
	author = {Karthikeyan, Muthukumarasamy and Vyas, Renu and Tambe, Sanjeev S. and Radhamohan, Deepthi and Kulkarni, Bhaskar D.}
}
@article {48409,
	title = {Overview of erythritol production by yeast strains},
	journal = {Fems Microbiology Letters},
	volume = {369},
	year = {2022},
	month = {NOV},
	pages = {fnac107},
	type = {Review},
	abstract = {<p>
	Erythritol is a 4-carbon polyol produced with the aid of microbes in presence of hyper-osmotic stress. It is the most effective sugar alcohol that is produced predominantly by fermentation. In comparison to various polyols, it has many precise functions and is used as a flavor enhancer, sequestrant, humectant, nutritive sweetener, stabilizer, formulation aid, thickener, and a texturizer. Erythritol production is a common trait in a number of the yeast genera viz., Trigonopsis, Candida, Pichia, Moniliella, Yarrowia, Pseudozyma, Trichosporonoides, Aureobasidium, and Trichoderma. Extensive work has been carried out on the biological production of erythritol through Yarrowia, Moniliella, Candida, and other yeast strains, and numerous strategies used to improve erythritol productivity through mutagenesis and genetic engineering are discussed in this review.</p>
},
	keywords = {Erythritol, erythrose reductase, hyperosmotic stress response, metabolic pathways, Yeast, yeast expression},
	issn = {0378-1097},
	doi = {10.1093/femsle/fnac107},
	author = {Khatape, Anil B. and Dastager, Syed G. and Rangaswamy, Vidhya}
}
