Design, synthesis and molecular docking of new [1,2,4] triazolo[4,3-a]quinoxaline derivatives as anticancer agents targeting VEGFR-2 kinase Nawaf A. AlsaifAlaa ElwanMohammed S. Taghour Original Article 30 August 2021 Pages: 1915 - 1932
Identification of tyrosine kinase inhibitors from Panax bipinnatifidus and Panax pseudoginseng for RTK—HER2 and VEGFR2 receptors, by in silico approach Dipayan PaulSaurov MahantaPallabi Kalita Hui Original Article 23 September 2021 Pages: 1933 - 1955
Progress on the natural asphalt applications as a new class of carbonious heterogeneous support; synthesis of Na[Pd-NAS] and study of its catalytic activity in the formation of carbon–carbon bonds Homa KohzadiMohammad Soleiman-Beigi Original Article 10 September 2021 Pages: 1957 - 1967
Morita–Baylis–Hillman adducts derived from thymol: synthesis, in silico studies and biological activity against Giardia lamblia Francisco J. S. XavierAndressa B. LiraMário L. A. A. Vasconcellos Original Article 05 September 2021 Pages: 1969 - 1982
PANI-Fe3O4@ZnO nanocomposite as magnetically recoverable organometallic nanocatalyst promoted synthesis of new Azo chromene dyes and evaluation of their antioxidant and antimicrobial activities Shahrzad AbdolmohammadiZinatossadat HossainiMohammad Reza Poor Heravi Original Article 19 October 2021 Pages: 1983 - 1993
Design and synthesis of phenoxymethybenzoimidazole incorporating different aryl thiazole-triazole acetamide derivatives as α-glycosidase inhibitors Anita Nasli EsfahaniAida IrajiMohammad Mahdavi Original Article 13 September 2021 Pages: 1995 - 2009
Solvent-free synthesis of new spiropyrroloindole compounds using Fe3O4/TiO2/MWCNTs MNCs via multicomponent reactions: assessment of new spiropyrroloindole antioxidant activity Nasrin Karami HezarcheshmehJavad Azizian Original Article 31 January 2022 Pages: 2011 - 2024
Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda Domingo Méndez-ÁlvarezVerónica Herrera-MayorgaGildardo Rivera Original Article 16 September 2021 Pages: 2025 - 2037
A one-pot synthesis of piperidinium spirooxindoline-pyridineolates and indole-substituted pyridones in aqueous or ethanol medium Faezeh MirzaeiMohammad BayatShima Nasri Original Article 15 September 2021 Pages: 2039 - 2048
Synthesis of 1,2,3,triazole modified analogues of hydrochlorothiazide via click chemistry approach and in-vitro α-glucosidase enzyme inhibition studies Hina SiddiquiM. A. A. BaheejM. Iqbal Choudhary Original Article 04 October 2021 Pages: 2049 - 2067
Biosynthesis of Cu/KF/Clinoptilolite@MWCNTs nanocomposite and its application as a recyclable nanocatalyst for the synthesis of new Schiff base of benzoxazine derivatives and reduction of organic pollutants Naghmeh Faal HamedaniFariba Zamani HargalaniFaramarz Rostami-Charati Original Article 13 October 2021 Pages: 2069 - 2083
DNA interaction, anticancer, cytotoxicity and genotoxicity studies with potential pyrazine-bipyrazole dinuclear µ-oxo bridged Au(III) complexes Darshana N. KanthechaBhupesh S. BhattChandramani Pathak Original Article 24 September 2021 Pages: 2085 - 2101
Novel ocotillol-derived lactone derivatives: design, synthesis, bioactive evaluation, SARs and preliminary antibacterial mechanism Ziyi ZhangXianming ZengZhiwen Zhou Original Article 18 October 2021 Pages: 2103 - 2120
Employing of Fe3O4/CuO/ZnO@MWCNT MNCs in the solvent-free synthesis of new cyanopyrroloazepine derivatives and investigation of biological activity Neda Zare DavijaniReza Kia-KojooriSepehr Sadegh-Samiei Original Article 03 December 2021 Pages: 2121 - 2134
Identifying potential inhibitors of biofilm-antagonistic proteins to promote biofilm formation: a virtual screening and molecular dynamics simulations approach Mayur MukhiA. S. Vishwanathan Original Article 21 September 2021 Pages: 2135 - 2147
Synthesis and insecticidal activity of novel 1,2,4-triazole derivatives containing trifluoroacetyl moieties Fenghai ZhaoXianjun TangYumei Xiao Original Article 29 September 2021 Pages: 2149 - 2158
Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach Dan ZhaoLu SunShijun Zhong Original Article 16 October 2021 Pages: 2159 - 2174
Benzyl-para-di-[5-methyl-4-(n-octylamino) pyrimidin-2(1H)one] as an interferon beta (IFN-β) modulator Lena TrifonovMariya YurchenkoArie Gruzman Original Article 19 October 2021 Pages: 2175 - 2188
Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation Rohit PatelJignesh PrajapatiDweipayan Goswami Original Article 30 September 2021 Pages: 2189 - 2209
New fused pyrroles with rA1/A2A antagonistic activity as potential therapeutics for neurodegenerative disorders Nadia Janse van VuurenHelena D. Janse van RensburgLesetja J. Legoabe Original Article 05 November 2021 Pages: 2211 - 2220
Synthesis of functionalized pyrrole derivatives via diverse cyclization of azomethine ylide and olefins Saman SayebaniHossein EshghiMaryam Naeimabadi Original Article 15 October 2021 Pages: 2221 - 2230
Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors Odame AgyapongWhelton A. MillerSamuel K. Kwofie Original Article 09 October 2021 Pages: 2231 - 2242
Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulation Tushar JoshiPriyanka SharmaSubhash Chandra Original Article 12 October 2021 Pages: 2243 - 2256
Chemoinformatic analysis of alkaloids isolated from Peganum genus Omer BayazeidTohfa Nasibova Original Article 21 October 2021 Pages: 2257 - 2267
Design and synthesis of novel N-[3-(benzimidazol-2-ylamino)phenyl]amine and N-[3-(benzoxazol-2-ylamino)phenyl]amine derivatives as potential anticancer agents Honnavalli Yogish KumarPrashant R. MurumkarM. R. Yadav Original Article 18 October 2021 Pages: 2269 - 2293
Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation Kiran Bharat LokhandePayel GhoshK. Venkateswara Swamy Original Article 09 October 2021 Pages: 2295 - 2309
Montmorillonite clay-based heterogenous catalyst for the synthesis of nitrogen heterocycle organic moieties: a review Thangapandi ChellapandiGunabalan Madhumitha Comprehensive review 27 October 2021 Pages: 2311 - 2339
A review on the synthesis of heteroannulated quinolones and their biological activities Yaseen A. M. M. ElshaierAshraf A. AlyMohamed Ramadan Comprehensive review 26 October 2021 Pages: 2341 - 2370
Correction to: Exploration of chalcones and related heterocycle compounds as ligands of adenosine receptors: therapeutics development Chrisna MattheeGisella Terre’BlancheHelena D. Janse van Rensburg Correction 04 October 2021 Pages: 2371 - 2371
Correction to: Novel metal complexes containing 6‑methylpyridine‑2‑carboxylic acid as potent α‑glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking Davut AvcıSümeyye AltürkNecmi Dege Correction 17 September 2021 Pages: 2373 - 2373
