Application of the Ugi reaction for preparation of submicron capsules based on sugar beet pectin Rita S. AlqubelatManar M. ObiedallahMaxim A. Mironov Original Article 13 September 2022 Pages: 1957 - 1969
Gold-catalyzed carbocyclization and imidization of alkyne-tethered diazo compounds with nitrosoarenes for the synthesis of nitrones and naphthalene derivatives Mengting LiuXiongda XieXinfang Xu Original Article 23 September 2022 Pages: 1971 - 1978
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A consecutive synthesis of spiro[cyclopenta[b]pyrrole-5,2′-indene] derivatives via spirocyclization/annulation reactions Azadeh ParhamiIssa YavariGholam Reza Najafi Original Article 12 October 2022 Pages: 2001 - 2013
Identification of phytochemical as a dual inhibitor of PI3K and mTOR: a structure-based computational approach B. Harish KumarSuman ManandharK. Sreedhara Ranganath Pai Original Article Open access 16 October 2022 Pages: 2015 - 2036
Isoxazole carboxylic acid methyl ester-based urea and thiourea derivatives as promising antitubercular agents Santosh Kumar SahooOjaswitha OmmiVenkata Madhavi Yaddanapudi Original Article 25 October 2022 Pages: 2037 - 2052
Pharmacophore-based virtual screening of ZINC database, molecular modeling and designing new derivatives as potential HDAC6 inhibitors Priya PooniaMonika SharmaMadhu Chopra Original Article 10 October 2022 Pages: 2053 - 2071
Synthesis, characterization and evaluation of prenylated chalcones ethers as promising antileishmanial compounds Jessica Lizbeth Hernández-RiveraJosé C. Espinoza-HicksAlejandro A. Camacho-Dávila Original Article 28 October 2022 Pages: 2073 - 2092
Computational biophysics approach towards the discovery of multi-kinase blockers for the management of MAPK pathway dysregulation Muthu Kumar ThirunavukkarasuShanthi VeerappapillaiRamanathan Karuppasamy Original Article 19 October 2022 Pages: 2093 - 2110
In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling Soukaina BouamraneAyoub KhaldanTahar Lakhlifi Original Article 14 October 2022 Pages: 2111 - 2132
Synthesis, antiproliferative activity, and molecular modeling of novel 4-methylcoumarin derivatives and/or nitric oxide donor hybrids Malik Suliman MohamedHany A. M. ElsheriefAsmaa M. AboulMagd Original Article 22 October 2022 Pages: 2133 - 2146
Synthesis of new 3-acetyl-1,3,4-oxadiazolines combined with pyrimidines as antileishmanial and antiviral agents Saida LachhabAz-eddine El MansouriHassan B. Lazrek Original Article 17 October 2022 Pages: 2147 - 2159
Enantiopure β-isocyano-boronic esters: synthesis and exploitation in isocyanide-based multicomponent reactions Marco ManentiSimone GusminiAlessandra Silvani Original Article Open access 19 October 2022 Pages: 2161 - 2168
In silico identification of potential inhibitors of vital monkeypox virus proteins from FDA approved drugs Ajaya Kumar SahooPriya Dharshini AugusthianAreejit Samal Original Article 04 November 2022 Pages: 2169 - 2184
Novel 1,2,4-triazoles derived from Ibuprofen: synthesis and in vitro evaluation of their mPGES-1 inhibitory and antiproliferative activity Bahadır BülbülKai Dingİlkay Küçükgüzel Original Article 04 November 2022 Pages: 2185 - 2215
Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-HT2AR antagonists with the potential for design of new atypical antipsychotics Allana Faustino MartinsLuana Janaína de CamposEduardo Borges de Melo Original Article 21 November 2022 Pages: 2217 - 2238
Can machine learning ‘transform’ peptides/peptidomimetics into small molecules? A case study with ghrelin receptor ligands Wenjie LiuAustin M. HopkinsJinqiang Hou Original Article 04 November 2022 Pages: 2239 - 2255
Structure-based drug design of potential inhibitors of FBXW8, the substrate recognition component of Cullin-RING ligase 7 Yingying ZhangLiuqing CuiYunpeng Shen Original Article 02 November 2022 Pages: 2257 - 2271
Screening the possible anti-cancer constituents of Hibiscus rosa-sinensis flower to address mammalian target of rapamycin: an in silico molecular docking, HYDE scoring, dynamic studies, and pharmacokinetic prediction Hezha O. RasulBakhtyar K. AzizArif Kivrak Original Article 01 November 2022 Pages: 2273 - 2296
Virtual screening for potential discoidin domain receptor 1 (DDR1) inhibitors based on structural assessment Jiali XieDan MengPing Deng Original Article 02 November 2022 Pages: 2297 - 2314
Identification of small molecules as potential inhibitors of interleukin 6: a multi-computational investigation Que-Huong TranQuoc-Thai NguyenKhac-Minh Thai Original Article 01 November 2022 Pages: 2315 - 2330
Machine learning prediction of empirical polarity using SMILES encoding of organic solvents Vaneet Saini Original Article 05 November 2022 Pages: 2331 - 2343
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate in the smiles rearrangement reaction: straightforward synthesis of amino acid derived quinolin-2(1H)-one enamines Sirous HaghipourMorteza MehrdadMohammad Mahdavi Short Communication 08 February 2023 Pages: 2345 - 2352
2,4-Dihydroxycinnamic acid as spike ACE2 inhibitor and apigenin as RdRp inhibitor in Nimbamritadi Panchatiktam Kashayam against COVID-19: an in silico and in vitro approach Maneesha MuraliBhagyalakshmi NairLekshmi R. Nath Short Communication 10 November 2022 Pages: 2353 - 2363
1,3-Dipolar cycloaddition reactions of isatin-derived azomethine ylides for the synthesis of spirooxindole and indole-derived scaffolds: recent developments Fatemeh Rostami MiankooshkiMohammad BayatNarges Habibi Samet Comprehensive review 04 August 2022 Pages: 2365 - 2397
Application of phenacyl bromide analogs as a versatile organic intermediate for the synthesis of heterocyclic compounds via multicomponent reactions Ramin Javahershenas Comprehensive review 13 October 2022 Pages: 2399 - 2430