Rajnish Kumar

Publications
Public outreach and news

Articles

Article: CURRENT MEDICINAL CHEMISTRY. 2026;33(7):1448-1466
Discovery of 5-(Substituted Phenyl)-2-aryl Benzimidazole Derivatives as SIRT1 Activators: Their Design, in silico Studies, Synthesis, and in vitro Evaluation
Chauhan S; Kumar A; Kumar R; Saini D
Article: EUROPEAN JOURNAL OF PHARMACOLOGY. 2025;998:177638
Discovery and characterization of novel pyridone and furan substituted ligands of choline acetyltransferase
Baidya ATK; Dante D; Das B; Wang L; Darreh-Shori T; Kumar R
Article: CHEMISTRY & BIODIVERSITY. 2025;22(7):e202403338
Azaphenothiazine Conjugates: A New Class of Antimicrobial Compounds
Kushwaha K; Buchanan D; Nkosi A; Jangra J; Kumar R; Singh SK; Jain SC; Panda SS
Article: MOLECULAR DIVERSITY. 2025;29(3):2001-2016
Design, synthesis, biological evaluation and in silico study of N-(Pyrimidin-2-yl)alkyl/arylamide derivatives as quorum sensing inhibitors against Pseudomonas aeruginosa
Bhopale AJ; Kharga K; Yerramsetti N; Kumar R; Kumar L; Yadav AK
Article: CHEMISTRYSELECT. 2025;10(11)
Design, Synthesis, Biological Investigations, and in Silico Studies of Sulfonate Esters of 2-(2-benzylidenehydrazono)-4-Oxothiazolidine-5-Acetic Acid as α-Glucosidase Inhibitors
Kaur R; Kumar R; Dogra N; Yadav AK
Article: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2025;43(2):997-1014
Design, synthesis, biological evaluations and in silico studies of N-substituted 2,4-thiazolidinedione derivatives as potential a-glucosidase inhibitors
Dahiya L; Kumar R; Baidya ATK; Kumar S; Kumar R; Pawar SV; Yadav AK
Article: FUTURE MEDICINAL CHEMISTRY. 2025;17(1):59-73
Novel isatin conjugates endowed with analgesic and anti-inflammatory properties: design, synthesis and biological evaluation
Brown LD; Girgis AS; Patel S; Samir N; Said MF; Baidya ATK; Kumar R; Moore J; Khadanga A; Sakhuja R; Panda SS
Article: BIOORGANIC CHEMISTRY. 2025;154:108027
Design, synthesis, biological evaluations and in silico studies of (Z)-2-(2,4-dioxothiazolidin-5-ylidene)methyl)-2-ethoxyphenyl-alkyl/ arylsulfonates as potential α-glucosidase inhibitors
Dahiya L; Jangra J; Kumar S; Kumar R; Kumar R; Pawar SV; Yadav AK
Article: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. 2024;25(24):13602
Micellar Choline-Acetyltransferase Complexes Exhibit Ultra-Boosted Catalytic Rate for Acetylcholine Synthesis-Mechanistic Insights for Development of Acetylcholine-Enhancing Micellar Nanotherapeutics
Dante D; Jangra J; Baidya ATK; Kumar R; Darreh-Shori T
Article: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2024;42(20):10978-10993
Screening of potential inhibitors against structural proteins from Monkeypox and related viruses of Poxviridae family via docking and molecular dynamics simulation
Kaur M; Sharma A; Kaur H; Singh M; Devi B; Naresh Raj AR; Sood V; Pandey A; Gartia J; Kumar R; Babu ARS; Singh G; Barnwal RP
Article: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2024;42(17):9031-9049
Design, synthesis, biological evaluation and molecular dynamics of some novel 3-phenylpyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione based compounds as anti-tubercular agents
Chauhan M; Prajapati C; Mirza S; Barot R; Yadav R; Barmade M; Kakadiya D; Vijayvargia R; Haobam B; Baidya ATK; Kumar R; Yadav MR; Murumkar P
Article: ACS CHEMICAL NEUROSCIENCE. 2024;15(22):4156-4170
AI-Enabled Ultra-large Virtual Screening Identifies Potential Inhibitors of Choline Acetyltransferase for Theranostic Purposes
Baidya ATK; Goswami AK; Das B; Darreh-Shori T; Kumar R
Article: CHEMISTRYSELECT. 2024;9(39)
Design, Synthesis, Biological Evaluation, and In Silico Study of N-(Pyridin-2/3-yl)alkanamide Derivatives as Quorum Sensing Inhibitors Against Pseudomonas aeruginosa
Jaiswal U; Bhopale AJ; Srivastava N; Yerramsetti N; Kumar R; Kumar L; Yadav AK
Article: ACS OMEGA. 2024;9(35):37299-37309
Repurposing Duloxetine as a Potent Butyrylcholinesterase Inhibitor: Potential Cholinergic Enhancing Benefits for Elderly Individuals with Depression and Cognitive Impairment
Darreh-Shori T; Baidya ATK; Brouwer M; Kumar A; Kumar R
Article: BIOSCIENCE REPORTS. 2024;44(8):bsr20240800
Structural characterization of DNA-binding domain of essential mammalian protein TTF 1
Singh G; Bhopale AJ; Khatri S; Prakash P; Kumar R; Singh SM; Singh SK
Article: MOLECULAR DIVERSITY. 2024;28(4):2013-2031
Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study
Das B; Mathew ATT; Baidya ATK; Devi B; Salmon RR; Kumar R
Article: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY. 2024;257:112975
Characterization, DFT study and evaluation of antioxidant potentials of mycosporine-like amino acids (MAAs) in the cyanobacterium Anabaenopsis circularis HKAR-22
Singh VK; Das B; Jha S; Rana P; Kumar R; Sinha RP
Article: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 2024;270:116356
Structure-based discovery of small molecule inhibitors of FKBP51-Hsp90 protein-protein interaction
Wang L; Kumar R; Winblad B; Pavlov PF
Article: MOLECULAR DIVERSITY. 2024;28(2):649-669
Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors
Devi B; Vasishta SS; Das B; Baidya ATK; Rampa RS; Mahapatra MK; Kumar R
Article: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS. 2024;42(1):509-527
Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer's disease
Jangid K; Devi B; Sahoo A; Kumar V; Dwivedi AR; Thareja S; Kumar R; Kumar V
Show more

All other publications

Review: SCIENCE SIGNALING. 2025;18(885):eadt2272
Insights into the intramembrane protease SPPL2b and its substrates: Functions and disease implications
Badman J; Parracino A; Kumar R; Tambaro S
Review: ALZHEIMERS & DEMENTIA. 2025;21(3):e70048
Tau degradation in Alzheimer's disease: Mechanisms and therapeutic opportunities
Wang L; Sooram B; Kumar R; Schedin-Weiss S; Tjernberg LO; Winblad B
Review: CURRENT MEDICINAL CHEMISTRY. 2023;30(30):3404-3440
Free Fatty Acid Receptors (FFARs): Emerging Therapeutic Targets for the Management of Diabetes Mellitus
Loona DPS; Das B; Kaur R; Kumar R; Yadav AK
Editorial: FUTURE MEDICINAL CHEMISTRY. 2022;14(20):1421-1424
The key new techniques in the medicinal chemist's toolkit to prioritize solubility during drug design
Sahu P; Kumar R
Review: 3 BIOTECH. 2022;12(5):110
Deep learning tools for advancing drug discovery and development
Nag S; Baidya ATK; Mandal A; Mathew AT; Das B; Devi B; Kumar R
Review: CELLS. 2021;10(10):2596
Targeting Chaperone/Co-Chaperone Interactions with Small Molecules: A Novel Approach to Tackle Neurodegenerative Diseases
Wang L; Bergkvist L; Kumar R; Winblad B; Pavlov PF
Review: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 2021;209:112915
Small molecule therapeutics for tauopathy in Alzheimer's disease: Walking on the path of most resistance
Wang L; Bharti; Kumar R; Pavlov PF; Winblad B
Review: EXPERT OPINION ON DRUG DISCOVERY. 2013;8(8):1013-1027
Advances in the design and discovery of drugs for the treatment of prostatic hyperplasia
Kumar R; Malla P; Kumar M
Review: MINI-REVIEWS IN MEDICINAL CHEMISTRY. 2013;13(5):697-705
Ezogabine: Development and Role in the Management of Epileptic Seizures
Verma A; Kumar R; Kumar M

Articles

All other publications

News from KI

Events from KI