Identification of promising multi-targeting inhibitors of obesity from Vernonia amygdalina through computational analysis Oludare M. OgunyemiGideon A. GyebiGaber El-Saber Batiha Original Article 18 February 2022 Pages: 1 - 25
Targeting UNC-51-like kinase 1 and 2 by lignans to modulate autophagy: possible implications in metastatic colorectal cancer Arindam SainThirukumaran KandasamyDebdut Naskar Original Article 22 February 2022 Pages: 27 - 43
Defective ORF8 dimerization in SARS-CoV-2 delta variant leads to a better adaptive immune response due to abrogation of ORF8-MHC1 interaction Armi M. ChaudhariIndra SinghChaitanya Joshi Original Article 03 March 2022 Pages: 45 - 57
Survey reaction of 2-amino-N-(aryl) benzimidamides with ninhydrin in different conditions and investigation of reaction mechanism using density functional theory (DFT) Ali DarehkordiMarziyeh MohammadiFarzaneh Nejadkhorasani Original Article 05 March 2022 Pages: 59 - 70
A novel nonlinear time-varying sigmoid transfer function in binary whale optimization algorithm for descriptors selection in drug classification Norfadzlia Mohd YusofAzah Kamilah MudaAjith Abraham Original Article 07 March 2022 Pages: 71 - 80
Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis Liming FanShuai FengYang Li Original Article 08 March 2022 Pages: 81 - 102
An in silico and in vitro integrated analysis method to reveal the curative mechanisms and pharmacodynamic substances of Bufei granule on chronic obstructive pulmonary disease Yuan-yuan MaRong LiZheng Li Original Article 09 March 2022 Pages: 103 - 123
A one-pot synthesis 3-alkoxycarbonyl-3,4-dihydro-2H-pyran-2-ones from vinylidene melderum’s acids, dialkyl acetylenedicarboxylates, and simple alcohols Samira KhandanIssa YavariJavad Azizian Original Article 10 March 2022 Pages: 125 - 133
NaH-promoted one-pot synthesis of 5-amidoimidazoles from arylamines, carbon disulfide and isocyanides Jie LuoYichan ZhangHai Wang Original Article 10 March 2022 Pages: 135 - 143
Novel (Z)/(E)-1,2,4-triazole derivatives containing oxime ether moiety as potential ergosterol biosynthesis inhibitors: design, preparation, antifungal evaluation, and molecular docking Shengxin SunJinghua YanMin Chen Original Article 15 March 2022 Pages: 145 - 157
Oxidative coupling of dibenzyl disulfide with amines catalyzed by quinoline-bromine complex: access to thioamides Mehdi RezapourMohammad Abbasi Original Article 16 March 2022 Pages: 159 - 165
Bismuth-catalyzed arylation of ethyl glyoxylate with aniline via N–H insertion Mohd. Aamir Bin RiyazG. PremkumarToka Swu Original Article 17 March 2022 Pages: 167 - 175
Mesoporous epoxidized soybean oil-supported copper-based magnetic nanocatalyst and amberlite-supported azide as a green and efficient catalytic system for 1,2,3-triazole synthesis S. Saeid Saei DehkordiAbbas Ali JafariHeshmat Allah Samimi Original Article 28 March 2022 Pages: 177 - 192
Synthesis, carbonic anhydrase inhibition, anticancer activity, and molecular docking studies of 1,3,4-oxadiazole derivatives Balasaheb D. VanjareNam Gyu ChoiSong Ja Kim Original Article 28 March 2022 Pages: 193 - 208
Design, synthesis, and molecular modeling of heterodimer and inhibitors of α-amylase as hypoglycemic agents Ved Prakash SinghManisha NidharAshish Kumar Tewari Original Article 31 March 2022 Pages: 209 - 222
Hydroxytriazenes incorporating sulphonamide derivatives: evaluation of antidiabetic, antioxidant, anti-inflammatory activities, and computational study Laxmi K. ChauhanJaishri ChopraPrabhat K. Baroliya Original Article 12 April 2022 Pages: 223 - 237
Design, synthesis, and biological evaluation of 4-(1H-1,2,3-triazol-1-yl)benzamides as HSP90 inhibitors Tingting HeShulei ZhuWei Lu Original Article 16 April 2022 Pages: 239 - 248
Proteochemometrics modeling for prediction of the interactions between caspase isoforms and their inhibitors Zahra BastamiRazieh SheikhpourSajjad Gharaghani Original Article 19 April 2022 Pages: 249 - 261
New N- and C-modified RGD-hemorphins as potential biomedical application on Ti-surface materials: synthesis, characterization and antinociceptive activity Stela GeorgievaPetar TodorovDaniela Pechlivanova Original Article 19 April 2022 Pages: 263 - 280
Synthesis of bis(ylidene) cyclohexanones and their antifungal activity against selected plant pathogenic fungi Ueveton Pimentel da SilvaBruno Wesley FerreiraEduardo Vinícius Vieira Varejão Original Article 20 April 2022 Pages: 281 - 297
Palladium(0)-catalyzed aryne annulation: a powerful strategy for the synthesis of thio-bridged compounds Mayur I. MorjaKishor H. Chikhalia Original Article 22 April 2022 Pages: 299 - 311
One-pot multicomponent synthesis of benzophenazine tethered tetrahydropyridopyrimidine derivatives DarakshanTasneem Parvin Original Article 23 April 2022 Pages: 313 - 322
Unraveling the molecular mechanism of l-menthol against cervical cancer based on network pharmacology, molecular docking and in vitro analysis Harsimran SidhuLalit Kumar GautamNeena Capalash Original Article 25 April 2022 Pages: 323 - 340
Identification of potential andrographolide-based drug candidate against Keap1-Nrf2 pathway through rigorous cheminformatics screening Priyanka JainC. Sudandira Doss Original Article 25 April 2022 Pages: 341 - 356
Computational design of MmpL3 inhibitors for tuberculosis therapy R. ChaitraRohit GandhiManikanta Murahari Original Article 28 April 2022 Pages: 357 - 369
Insight into potent TLR2 inhibitors for the treatment of disease caused by Mycoplasma pneumoniae based on machine learning approaches Muhammad IshfaqZiaur RahmanZhihua Hu Original Article 29 April 2022 Pages: 371 - 387
Molecular dynamics, MMGBSA, and docking studies of natural products conjugated to tumor-targeted peptide for targeting BRAF V600E and MERTK receptors Dominic J. LamboCharlotta G. LebedenkoIpsita A. Banerjee Original Article 03 May 2022 Pages: 389 - 423
Nano-CuFe2O3-catalyzed green synthesis of novel quinazolinone–tetrazole hybrids as anti-cancer agents Dileep KommulaPraveen Kumar ChintakuntaM. S. R. Murty Original Article 03 May 2022 Pages: 425 - 441
Discovery of new PKN2 inhibitory chemotypes via QSAR-guided selection of docking-based pharmacophores Mahmoud A. Al-Sha’erHaneen A. BasheerMutasem O. Taha Original Article 04 May 2022 Pages: 443 - 462
Discovery of adapalene and dihydrotachysterol as antiviral agents for the Omicron variant of SARS-CoV-2 through computational drug repurposing Ozkan FidanSomdutt MujwarMateusz Kciuk Original Article 04 May 2022 Pages: 463 - 475
Efficient and green synthesis of novel hexahydro-5H-thiazolo[2',3':2,3]pyrimido[4,5-b]quinoline derivatives Tooba TabibiAbbas Ali Esmaeili Original Article 08 May 2022 Pages: 477 - 486
Evaluation of tea (Camellia sinensis L.) phytochemicals as multi-disease modulators, a multidimensional in silico strategy with the combinations of network pharmacology, pharmacophore analysis, statistics and molecular docking Anish NagNikhil DhullAshmita Gupta Original Article 10 May 2022 Pages: 487 - 509
Domino synthesis of 5-aminoimidazoles from Strecker multicomponent adducts via ytterbium-promoted isocyanide insertion/5-exo-dig cyclization Rolando CannalireCamilla RussoMariateresa Giustiniano Short Communication 13 April 2022 Pages: 511 - 515
Antibacterial natural products from microbial and fungal sources: a decade of advances Sangeetha MohanM. S. Ajay KrishnaSasidhar B. Somappa Comprehensive review 17 March 2022 Pages: 517 - 541
Recent advances in the green synthesis of Betti bases and their applications: a review Ramsha IftikharMuhammad KamranNazia Jamil Comprehensive review 21 April 2022 Pages: 543 - 569
